(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid

C17H20N2O6 — CID 97338789

IUPAC(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C)CCC(=O)O)no2)c1
InChIInChI=1S/C17H20N2O6/c1-10(4-7-16(20)21)18-17(22)13-9-15(25-19-13)12-8-11(23-2)5-6-14(12)24-3/h5-6,8-10H,4,7H2,1-3H3,(H,18,22)(H,20,21)/t10-/m0/s1
InChIKeyYGFWRCMDXXXKQR-JTQLQIEISA-N
MW348.36 g/mol
LogP2.34
Rot. Bonds8

About (4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid

(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid (PubChem CID 97338789) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is (4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
PubChem CID97338789
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C)CCC(=O)O)no2)c1
InChIInChI=1S/C17H20N2O6/c1-10(4-7-16(20)21)18-17(22)13-9-15(25-19-13)12-8-11(23-2)5-6-14(12)24-3/h5-6,8-10H,4,7H2,1-3H3,(H,18,22)(H,20,21)/t10-/m0/s1
InChIKeyYGFWRCMDXXXKQR-JTQLQIEISA-N
XLogP2.34
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

(4R)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338790
5-(2,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 3674837
5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 49029259
N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48992159
N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 93143963
N-(1-cyclopropyl-2-methoxyethyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 126791281
5-(2,5-dimethoxyphenyl)-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 93143982
5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 49016837
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 49081050
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
5-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 3235828

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid?
The IUPAC name of (4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid (CID 97338789) is (4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for (4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid is COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C)CCC(=O)O)no2)c1.
What is the InChIKey of (4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid?
The InChIKey is YGFWRCMDXXXKQR-JTQLQIEISA-N. The full InChI is InChI=1S/C17H20N2O6/c1-10(4-7-16(20)21)18-17(22)13-9-15(25-19-13)12-8-11(23-2)5-6-14(12)24-3/h5-6,8-10H,4,7H2,1-3H3,(H,18,22)(H,20,21)/t10-/m0/s1.
What are the key properties of (4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid?
(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid has a molecular weight of 348.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 97338789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).