2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid

C16H17N3O5 — CID 120547632

IUPAC2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCOC1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C16H17N3O5/c20-15(18-14(16(21)22)11-4-2-6-23-9-11)12-7-13(24-19-12)10-3-1-5-17-8-10/h1,3,5,7-8,11,14H,2,4,6,9H2,(H,18,20)(H,21,22)
InChIKeyKCOCMXQYELJEML-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.35
Rot. Bonds5

About 2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid

2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid (PubChem CID 120547632) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
PubChem CID120547632
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCOC1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C16H17N3O5/c20-15(18-14(16(21)22)11-4-2-6-23-9-11)12-7-13(24-19-12)10-3-1-5-17-8-10/h1,3,5,7-8,11,14H,2,4,6,9H2,(H,18,20)(H,21,22)
InChIKeyKCOCMXQYELJEML-UHFFFAOYSA-N
XLogP1.35
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119213726
2-(oxan-3-yl)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 120548981
N-[oxan-4-yl(thiophen-2-yl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 134161833
2-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547588
(2S)-2-[(3S)-oxan-3-yl]-2-[[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 129470400
N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
2-(oxan-3-yl)-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 120548551
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119458588
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 51956096
2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 62695945
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid (CID 120547632) is 2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CCCOC1)c1cc(-c2cccnc2)on1.
What is the InChIKey of 2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The InChIKey is KCOCMXQYELJEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c20-15(18-14(16(21)22)11-4-2-6-23-9-11)12-7-13(24-19-12)10-3-1-5-17-8-10/h1,3,5,7-8,11,14H,2,4,6,9H2,(H,18,20)(H,21,22).
What are the key properties of 2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid has a molecular weight of 331.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 120547632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).