2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

C18H23N3O4 — CID 166276773

IUPAC2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCO[C@@H]1COCC[C@H]1NC(C(=O)Nc1cc(C)on1)c1ccccc1
InChIInChI=1S/C18H23N3O4/c1-12-10-16(21-25-12)20-18(22)17(13-6-4-3-5-7-13)19-14-8-9-24-11-15(14)23-2/h3-7,10,14-15,17,19H,8-9,11H2,1-2H3,(H,20,21,22)/t14-,15-,17?/m1/s1
InChIKeyZPNHVMVNRLPGIA-BLBXNVQISA-N
MW345.40 g/mol
LogP2.06
Rot. Bonds6

About 2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (PubChem CID 166276773) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
PubChem CID166276773
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCO[C@@H]1COCC[C@H]1NC(C(=O)Nc1cc(C)on1)c1ccccc1
InChIInChI=1S/C18H23N3O4/c1-12-10-16(21-25-12)20-18(22)17(13-6-4-3-5-7-13)19-14-8-9-24-11-15(14)23-2/h3-7,10,14-15,17,19H,8-9,11H2,1-2H3,(H,20,21,22)/t14-,15-,17?/m1/s1
InChIKeyZPNHVMVNRLPGIA-BLBXNVQISA-N
XLogP2.06
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166235707
(2S)-2-[(4-methylcyclohexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 35786341
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide
CID 167847077
(3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 58035147
(2S)-2-(4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40792652
2-[(1-cyclopropyl-2-oxopiperidin-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 167946019
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40791076
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
2-(4-ethoxy-3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17491956
2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166220521
2-(4-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17488545
(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 27242204

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The IUPAC name of 2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (CID 166276773) is 2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for 2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The canonical SMILES for 2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is CO[C@@H]1COCC[C@H]1NC(C(=O)Nc1cc(C)on1)c1ccccc1.
What is the InChIKey of 2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The InChIKey is ZPNHVMVNRLPGIA-BLBXNVQISA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-10-16(21-25-12)20-18(22)17(13-6-4-3-5-7-13)19-14-8-9-24-11-15(14)23-2/h3-7,10,14-15,17,19H,8-9,11H2,1-2H3,(H,20,21,22)/t14-,15-,17?/m1/s1.
What are the key properties of 2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide has a molecular weight of 345.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 166276773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).