N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide

C25H31N5O4 — CID 162362493

IUPACN-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)noc2C)nc1)C1CCCCCC1
InChIInChI=1S/C25H31N5O4/c1-4-20-19(14-33-30-20)24(31)28-23(17-9-7-5-6-8-10-17)25(32)27-18-11-12-21(26-13-18)22-15(2)29-34-16(22)3/h11-14,17,23H,4-10H2,1-3H3,(H,27,32)(H,28,31)/t23-/m0/s1
InChIKeyYDIAEYGAWIHRBO-QHCPKHFHSA-N
MW465.55 g/mol
LogP4.61
Rot. Bonds7

About N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide

N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 162362493) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
PubChem CID162362493
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC NameN-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)noc2C)nc1)C1CCCCCC1
InChIInChI=1S/C25H31N5O4/c1-4-20-19(14-33-30-20)24(31)28-23(17-9-7-5-6-8-10-17)25(32)27-18-11-12-21(26-13-18)22-15(2)29-34-16(22)3/h11-14,17,23H,4-10H2,1-3H3,(H,27,32)(H,28,31)/t23-/m0/s1
InChIKeyYDIAEYGAWIHRBO-QHCPKHFHSA-N
XLogP4.61
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362258
N-[(1S)-2-[4-(2,4-dimethyl-3-pyridinyl)anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide
CID 164514368
N-[2-[4-(4-chloro-2-methyl-3-pyridinyl)anilino]-1-[(1S)-3,3-difluorocyclohexyl]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
CID 170425359
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 156904253
3-(aminomethyl)-N-[(1S)-1-cyclohexyl-2-[4-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)anilino]-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 163275719
N-[(1S)-2-[4-[(2S,3R)-3-acetamido-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-1-cyclohexyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
CID 155035349
N-[1-cyclooctyl-2-[[6-(oxan-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-methylfuran-3-carboxamide
CID 154937093
2-cyclooctyl-2-[(3-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 137363195
N-[(2S)-1,1-dicyclohexyl-3-[[6-fluoro-5-[3-methyl-5-(1,1,2,2,2-pentadeuterioethyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide
CID 175433045
N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide
CID 168846703
N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
CID 162362323
N-[2-[4-(5-chloro-2-methyl-3-pyridinyl)anilino]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]-3-(methoxymethyl)-1,2-oxazole-4-carboxamide
CID 170425482

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide (CID 162362493) is N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)noc2C)nc1)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?
The InChIKey is YDIAEYGAWIHRBO-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-4-20-19(14-33-30-20)24(31)28-23(17-9-7-5-6-8-10-17)25(32)27-18-11-12-21(26-13-18)22-15(2)29-34-16(22)3/h11-14,17,23H,4-10H2,1-3H3,(H,27,32)(H,28,31)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?
N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptyl-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162362493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).