N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide

C18H17ClN4O4 — CID 100717123

IUPACN-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@H](NC(=O)c2cc(C)no2)c2ccc(Cl)cc2)on1
InChIInChI=1S/C18H17ClN4O4/c1-10-7-15(26-22-10)17(24)20-9-14(12-3-5-13(19)6-4-12)21-18(25)16-8-11(2)23-27-16/h3-8,14H,9H2,1-2H3,(H,20,24)(H,21,25)/t14-/m0/s1
InChIKeyHPZJEFXXDSGYEM-AWEZNQCLSA-N
MW388.81 g/mol
LogP2.83
Rot. Bonds6

About N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 100717123) has the molecular formula C18H17ClN4O4 and a molecular weight of 388.81 g/mol. Its IUPAC name is N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID100717123
Molecular FormulaC18H17ClN4O4
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC NameN-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@H](NC(=O)c2cc(C)no2)c2ccc(Cl)cc2)on1
InChIInChI=1S/C18H17ClN4O4/c1-10-7-15(26-22-10)17(24)20-9-14(12-3-5-13(19)6-4-12)21-18(25)16-8-11(2)23-27-16/h3-8,14H,9H2,1-2H3,(H,20,24)(H,21,25)/t14-/m0/s1
InChIKeyHPZJEFXXDSGYEM-AWEZNQCLSA-N
XLogP2.83
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 119040347
N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 100717083
N-[(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 84594034
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 93247266
3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 111477071
3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide
CID 46823792
N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 62651855
N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 65314948
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 51257536
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119233563
N-[[4-(chloromethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107233243

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 100717123) is N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC[C@H](NC(=O)c2cc(C)no2)c2ccc(Cl)cc2)on1.
What is the InChIKey of N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is HPZJEFXXDSGYEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17ClN4O4/c1-10-7-15(26-22-10)17(24)20-9-14(12-3-5-13(19)6-4-12)21-18(25)16-8-11(2)23-27-16/h3-8,14H,9H2,1-2H3,(H,20,24)(H,21,25)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 388.81 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100717123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).