1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide

C14H19N3O4 — CID 95377013

IUPAC1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)NC[C@H]3CCCO3)C2)no1
InChIInChI=1S/C14H19N3O4/c1-9-5-12(16-21-9)14(19)17-7-10(8-17)13(18)15-6-11-3-2-4-20-11/h5,10-11H,2-4,6-8H2,1H3,(H,15,18)/t11-/m1/s1
InChIKeyHHZQSVXWPKACME-LLVKDONJSA-N
MW293.32 g/mol
LogP0.35
Rot. Bonds4

About 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide

1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide (PubChem CID 95377013) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide
PubChem CID95377013
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)NC[C@H]3CCCO3)C2)no1
InChIInChI=1S/C14H19N3O4/c1-9-5-12(16-21-9)14(19)17-7-10(8-17)13(18)15-6-11-3-2-4-20-11/h5,10-11H,2-4,6-8H2,1H3,(H,15,18)/t11-/m1/s1
InChIKeyHHZQSVXWPKACME-LLVKDONJSA-N
XLogP0.35
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide?
The IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide (CID 95377013) is 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(=O)NC[C@H]3CCCO3)C2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide?
The InChIKey is HHZQSVXWPKACME-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-5-12(16-21-9)14(19)17-7-10(8-17)13(18)15-6-11-3-2-4-20-11/h5,10-11H,2-4,6-8H2,1H3,(H,15,18)/t11-/m1/s1.
What are the key properties of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide?
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 95377013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).