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

C18H17ClN4O6 — CID 100717083

IUPACN-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@H](NC(=O)c2cc(OC)no2)c2ccc(Cl)cc2)on1
InChIInChI=1S/C18H17ClN4O6/c1-26-15-7-13(28-22-15)17(24)20-9-12(10-3-5-11(19)6-4-10)21-18(25)14-8-16(27-2)23-29-14/h3-8,12H,9H2,1-2H3,(H,20,24)(H,21,25)/t12-/m0/s1
InChIKeySYPCCXZTOPWOMV-LBPRGKRZSA-N
MW420.81 g/mol
LogP2.23
Rot. Bonds8

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

N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 100717083) has the molecular formula C18H17ClN4O6 and a molecular weight of 420.81 g/mol. Its IUPAC name is N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID100717083
Molecular FormulaC18H17ClN4O6
Molecular Weight420.81 g/mol
Exact Mass420.08
IUPAC NameN-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@H](NC(=O)c2cc(OC)no2)c2ccc(Cl)cc2)on1
InChIInChI=1S/C18H17ClN4O6/c1-26-15-7-13(28-22-15)17(24)20-9-12(10-3-5-11(19)6-4-10)21-18(25)14-8-16(27-2)23-29-14/h3-8,12H,9H2,1-2H3,(H,20,24)(H,21,25)/t12-/m0/s1
InChIKeySYPCCXZTOPWOMV-LBPRGKRZSA-N
XLogP2.23
TPSA128.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.81
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 100717123
N-[2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 119040347
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802436
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 120532079
N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802469
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 75455329
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 137394958
3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 111477071
3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide
CID 97353224

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 100717083) is N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC[C@H](NC(=O)c2cc(OC)no2)c2ccc(Cl)cc2)on1.
What is the InChIKey of N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is SYPCCXZTOPWOMV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17ClN4O6/c1-26-15-7-13(28-22-15)17(24)20-9-12(10-3-5-11(19)6-4-10)21-18(25)14-8-16(27-2)23-29-14/h3-8,12H,9H2,1-2H3,(H,20,24)(H,21,25)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide?
N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 420.81 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100717083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).