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

C19H17N3O4 — CID 44571084

IUPAC2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1ccncc1
InChIInChI=1S/C19H17N3O4/c1-13-17(21-18(26-13)15-5-3-2-4-6-15)19(25)22(12-16(23)24)11-14-7-9-20-10-8-14/h2-10H,11-12H2,1H3,(H,23,24)
InChIKeyKTFLXXVWZVFMFM-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.77
Rot. Bonds6

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

2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid (PubChem CID 44571084) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid
PubChem CID44571084
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1ccncc1
InChIInChI=1S/C19H17N3O4/c1-13-17(21-18(26-13)15-5-3-2-4-6-15)19(25)22(12-16(23)24)11-14-7-9-20-10-8-14/h2-10H,11-12H2,1H3,(H,23,24)
InChIKeyKTFLXXVWZVFMFM-UHFFFAOYSA-N
XLogP2.77
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid (CID 44571084) is 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid is Cc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1ccncc1.
What is the InChIKey of 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid?
The InChIKey is KTFLXXVWZVFMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-13-17(21-18(26-13)15-5-3-2-4-6-15)19(25)22(12-16(23)24)11-14-7-9-20-10-8-14/h2-10H,11-12H2,1H3,(H,23,24).
What are the key properties of 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid?
2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid has a molecular weight of 351.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(pyridin-4-ylmethyl)amino]acetic acid is sourced from PubChem (CID 44571084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).