N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide

C14H16N2O2 — CID 2741538

IUPACN-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-10-13(11(2)18-15-10)14(17)16(3)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeySALFCIOFEDMTBD-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.56
Rot. Bonds3

About N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide

N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2741538) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
PubChem CID2741538
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-10-13(11(2)18-15-10)14(17)16(3)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeySALFCIOFEDMTBD-UHFFFAOYSA-N
XLogP2.56
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-4-isoxazolylmethyl)phthalimide
CID 135035
2(1H)-Pyridinone, 5-(3,5-dimethyl-4-isoxazolyl)-1-(phenylmethyl)-
CID 76683643
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
Mls003170801
CID 332790
Cambridge id 5777587
CID 869900
N-(2-bromobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247401
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509
N-{4-[(3,5-dimethylisoxazol-4-yl)carbonylamino]phenyl}acetamide
CID 4791027
N-[4-(diethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4791029

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (CID 2741538) is N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is SALFCIOFEDMTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-13(11(2)18-15-10)14(17)16(3)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3.
What are the key properties of N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2741538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).