N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C17H20N2O3S — CID 51080994

IUPACN-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C17H20N2O3S/c1-11-15(18-16(22-11)14-3-2-8-23-14)17(20)19(13-4-5-13)9-12-6-7-21-10-12/h2-3,8,12-13H,4-7,9-10H2,1H3
InChIKeyYQMNQKFZSRLILK-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.35
Rot. Bonds5

About N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 51080994) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID51080994
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C17H20N2O3S/c1-11-15(18-16(22-11)14-3-2-8-23-14)17(20)19(13-4-5-13)9-12-6-7-21-10-12/h2-3,8,12-13H,4-7,9-10H2,1H3
InChIKeyYQMNQKFZSRLILK-UHFFFAOYSA-N
XLogP3.35
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 51080994) is N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(-c2cccs2)nc1C(=O)N(CC1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is YQMNQKFZSRLILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-15(18-16(22-11)14-3-2-8-23-14)17(20)19(13-4-5-13)9-12-6-7-21-10-12/h2-3,8,12-13H,4-7,9-10H2,1H3.
What are the key properties of N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 51080994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).