2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide

C16H20ClN3O3 — CID 121363306

IUPAC2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
SMILESCOc1cc(NC(=O)C(N)CC(C)C)c(Cl)cc1-c1cnco1
InChIInChI=1S/C16H20ClN3O3/c1-9(2)4-12(18)16(21)20-13-6-14(22-3)10(5-11(13)17)15-7-19-8-23-15/h5-9,12H,4,18H2,1-3H3,(H,20,21)
InChIKeyAIWRTNYPRFGTDW-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.32
Rot. Bonds6

About 2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide

2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide (PubChem CID 121363306) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
PubChem CID121363306
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
SMILESCOc1cc(NC(=O)C(N)CC(C)C)c(Cl)cc1-c1cnco1
InChIInChI=1S/C16H20ClN3O3/c1-9(2)4-12(18)16(21)20-13-6-14(22-3)10(5-11(13)17)15-7-19-8-23-15/h5-9,12H,4,18H2,1-3H3,(H,20,21)
InChIKeyAIWRTNYPRFGTDW-UHFFFAOYSA-N
XLogP3.32
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethoxy)phenyl]pentanamide
CID 121363401
tert-butyl N-[(2R)-1-[2-formyl-5-methoxy-4-(1,3-oxazol-5-yl)anilino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 121255931
N-[5-methoxy-2-methyl-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 123287218
(2S)-2-amino-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 61180352
5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1,3-oxazole
CID 68972183
2-(ethylsulfinylamino)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 144773668
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
4-[(2-amino-3-carboxypropanoyl)amino]-5-chloro-2-methoxybenzoic acid
CID 64896328
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-(3-methylbutyl)oxamide
CID 20766963
5-chloro-4-[(2,4-diamino-4-oxobutanoyl)amino]-2-methoxybenzoic acid
CID 61162189
(1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine
CID 159605676

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide (CID 121363306) is 2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide is COc1cc(NC(=O)C(N)CC(C)C)c(Cl)cc1-c1cnco1.
What is the InChIKey of 2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide?
The InChIKey is AIWRTNYPRFGTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-9(2)4-12(18)16(21)20-13-6-14(22-3)10(5-11(13)17)15-7-19-8-23-15/h5-9,12H,4,18H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide?
2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide has a molecular weight of 337.81 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 121363306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).