N-benzyl-5-propyl-1,2-oxazole-3-carboxamide

C14H16N2O2 — CID 5307399

IUPACN-benzyl-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccccc2)no1
InChIInChI=1S/C14H16N2O2/c1-2-6-12-9-13(16-18-12)14(17)15-10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,15,17)
InChIKeyDVYMBJNLFYPHRG-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.56
Rot. Bonds5

About N-benzyl-5-propyl-1,2-oxazole-3-carboxamide

N-benzyl-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 5307399) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-benzyl-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID5307399
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-benzyl-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccccc2)no1
InChIInChI=1S/C14H16N2O2/c1-2-6-12-9-13(16-18-12)14(17)15-10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,15,17)
InChIKeyDVYMBJNLFYPHRG-UHFFFAOYSA-N
XLogP2.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl (2E,4S)-4-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)formamido]butanamido]propanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
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5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
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(1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-propionylamino)-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-5-propyl-1,2-oxazole-3-carboxamide (CID 5307399) is N-benzyl-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NCc2ccccc2)no1.
What is the InChIKey of N-benzyl-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is DVYMBJNLFYPHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-6-12-9-13(16-18-12)14(17)15-10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,15,17).
What are the key properties of N-benzyl-5-propyl-1,2-oxazole-3-carboxamide?
N-benzyl-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).