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

C24H29N5O4 — CID 166872053

IUPACN-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)noc2C)cn1)C1CCCCCC1
InChIInChI=1S/C24H29N5O4/c1-14-19(13-32-28-14)23(30)27-22(17-8-6-4-5-7-9-17)24(31)26-20-11-10-18(12-25-20)21-15(2)29-33-16(21)3/h10-13,17,22H,4-9H2,1-3H3,(H,27,30)(H,25,26,31)/t22-/m0/s1
InChIKeyMUVUISIVRZNOHQ-QFIPXVFZSA-N
MW451.53 g/mol
LogP4.36
Rot. Bonds6

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

N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 166872053) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID166872053
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC NameN-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)noc2C)cn1)C1CCCCCC1
InChIInChI=1S/C24H29N5O4/c1-14-19(13-32-28-14)23(30)27-22(17-8-6-4-5-7-9-17)24(31)26-20-11-10-18(12-25-20)21-15(2)29-33-16(21)3/h10-13,17,22H,4-9H2,1-3H3,(H,27,30)(H,25,26,31)/t22-/m0/s1
InChIKeyMUVUISIVRZNOHQ-QFIPXVFZSA-N
XLogP4.36
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 166872053) is N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)noc2C)cn1)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MUVUISIVRZNOHQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-14-19(13-32-28-14)23(30)27-22(17-8-6-4-5-7-9-17)24(31)26-20-11-10-18(12-25-20)21-15(2)29-33-16(21)3/h10-13,17,22H,4-9H2,1-3H3,(H,27,30)(H,25,26,31)/t22-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 4.36, 6 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-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166872053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).