2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid

C15H16N2O5 — CID 129468921

IUPAC2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCc1ocnc1C(=O)N[C@H](C)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H16N2O5/c1-9(17-15(20)14-10(2)22-8-16-14)11-3-5-12(6-4-11)21-7-13(18)19/h3-6,8-9H,7H2,1-2H3,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeyKYHWGBDTFFKSFU-SECBINFHSA-N
MW304.30 g/mol
LogP1.94
Rot. Bonds6

About 2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid

2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid (PubChem CID 129468921) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid
PubChem CID129468921
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCc1ocnc1C(=O)N[C@H](C)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H16N2O5/c1-9(17-15(20)14-10(2)22-8-16-14)11-3-5-12(6-4-11)21-7-13(18)19/h3-6,8-9H,7H2,1-2H3,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeyKYHWGBDTFFKSFU-SECBINFHSA-N
XLogP1.94
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 122109303
2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 146107303
2-[4-[(1S)-1-[(4,4-difluorocyclohexanecarbonyl)amino]ethyl]phenoxy]acetic acid
CID 129468768
methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate
CID 97350475
2-[4-(1,3-dioxopropan-2-yl)phenoxy]acetic acid
CID 90967444
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488573
4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 19445345
2-[4-[(1R)-1-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 129469380
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 119587854
2-[4-[1-[[(4Z)-cyclooct-4-ene-1-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 138029154
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
3-[4-(carboxymethoxy)phenyl]pentanoic acid
CID 101226373

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid (CID 129468921) is 2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid is Cc1ocnc1C(=O)N[C@H](C)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
The InChIKey is KYHWGBDTFFKSFU-SECBINFHSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-9(17-15(20)14-10(2)22-8-16-14)11-3-5-12(6-4-11)21-7-13(18)19/h3-6,8-9H,7H2,1-2H3,(H,17,20)(H,18,19)/t9-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid has a molecular weight of 304.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 129468921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).