N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide

C14H14N2O3 — CID 154880217

IUPACN-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CNC(=O)C1CO1
InChIInChI=1S/C14H14N2O3/c1-9-11(7-15-13(17)12-8-18-12)16-14(19-9)10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H,15,17)
InChIKeyYFBAYGMSUZKDDZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.67
Rot. Bonds4

About N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide

N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide (PubChem CID 154880217) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide
PubChem CID154880217
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CNC(=O)C1CO1
InChIInChI=1S/C14H14N2O3/c1-9-11(7-15-13(17)12-8-18-12)16-14(19-9)10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H,15,17)
InChIKeyYFBAYGMSUZKDDZ-UHFFFAOYSA-N
XLogP1.67
TPSA67.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
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CID 20955490
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51103556
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20955623
N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 45195114
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
N-[(2-hydroxycyclopentyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111464140
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 24675874
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229706
N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]cyclobutanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide?
The IUPAC name of N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide (CID 154880217) is N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide?
The canonical SMILES for N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide is Cc1oc(-c2ccccc2)nc1CNC(=O)C1CO1.
What is the InChIKey of N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide?
The InChIKey is YFBAYGMSUZKDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-11(7-15-13(17)12-8-18-12)16-14(19-9)10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H,15,17).
What are the key properties of N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide?
N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]oxirane-2-carboxamide is sourced from PubChem (CID 154880217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).