2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid

C17H16N4O4 — CID 167932429

IUPAC2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C17H16N4O4/c1-10-15(20-17(25-10)12-8-18-21(2)9-12)16(24)19-13-5-3-4-11(6-13)7-14(22)23/h3-6,8-9H,7H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyVAZOOCZDTNQYHY-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.26
Rot. Bonds5

About 2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid

2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid (PubChem CID 167932429) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid
PubChem CID167932429
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C17H16N4O4/c1-10-15(20-17(25-10)12-8-18-21(2)9-12)16(24)19-13-5-3-4-11(6-13)7-14(22)23/h3-6,8-9H,7H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyVAZOOCZDTNQYHY-UHFFFAOYSA-N
XLogP2.26
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(1-methylpyrazol-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 32606809
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 167893790
(2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid
CID 119361397
N-(2-aminoethyl)-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 120886218
2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260
5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119449966
5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 31888702
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone
CID 126782330
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 139011651
2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 11220940
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 119352015

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid (CID 167932429) is 2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid is Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid?
The InChIKey is VAZOOCZDTNQYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-10-15(20-17(25-10)12-8-18-21(2)9-12)16(24)19-13-5-3-4-11(6-13)7-14(22)23/h3-6,8-9H,7H2,1-2H3,(H,19,24)(H,22,23).
What are the key properties of 2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid?
2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid has a molecular weight of 340.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 167932429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).