N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide

C19H20N4O4 — CID 30756453

IUPACN-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide
SMILESCC[C@H](Nc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C19H20N4O4/c1-3-15(18(24)22-17-11-12(2)27-23-17)20-13-6-8-14(9-7-13)21-19(25)16-5-4-10-26-16/h4-11,15,20H,3H2,1-2H3,(H,21,25)(H,22,23,24)/t15-/m0/s1
InChIKeyGDJBLOSFVWMCHD-HNNXBMFYSA-N
MW368.39 g/mol
LogP3.66
Rot. Bonds7

About N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide

N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide (PubChem CID 30756453) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide
PubChem CID30756453
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide
SMILESCC[C@H](Nc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C19H20N4O4/c1-3-15(18(24)22-17-11-12(2)27-23-17)20-13-6-8-14(9-7-13)21-19(25)16-5-4-10-26-16/h4-11,15,20H,3H2,1-2H3,(H,21,25)(H,22,23,24)/t15-/m0/s1
InChIKeyGDJBLOSFVWMCHD-HNNXBMFYSA-N
XLogP3.66
TPSA109.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide
CID 47018451
N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 2300970
(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25355318
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51327722
(2S)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9476646
(2R)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9476645
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide
CID 99856728
2-(4-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17488545
2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17499493
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 40727991
(2R)-2-(4-bromo-2-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 41016042

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide (CID 30756453) is N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide is CC[C@H](Nc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide?
The InChIKey is GDJBLOSFVWMCHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-3-15(18(24)22-17-11-12(2)27-23-17)20-13-6-8-14(9-7-13)21-19(25)16-5-4-10-26-16/h4-11,15,20H,3H2,1-2H3,(H,21,25)(H,22,23,24)/t15-/m0/s1.
What are the key properties of N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide?
N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 30756453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).