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

C18H19ClN2O3S2 — CID 55875270

IUPAC3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(C1CC(c2ccc(Cl)s2)=NO1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C18H19ClN2O3S2/c19-17-6-5-16(26-17)14-9-15(24-20-14)18(22)21(10-12-3-1-7-23-12)11-13-4-2-8-25-13/h2,4-6,8,12,15H,1,3,7,9-11H2
InChIKeyWWUGZKKIQOHBSM-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.16
Rot. Bonds6

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

3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55875270) has the molecular formula C18H19ClN2O3S2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID55875270
Molecular FormulaC18H19ClN2O3S2
Molecular Weight410.95 g/mol
Exact Mass410.05
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(C1CC(c2ccc(Cl)s2)=NO1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C18H19ClN2O3S2/c19-17-6-5-16(26-17)14-9-15(24-20-14)18(22)21(10-12-3-1-7-23-12)11-13-4-2-8-25-13/h2,4-6,8,12,15H,1,3,7,9-11H2
InChIKeyWWUGZKKIQOHBSM-UHFFFAOYSA-N
XLogP4.16
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
2-chloro-4,5-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55521414
(3S)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81126276
4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208816
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 60936615
(E)-4-oxo-4-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]but-2-enoic acid
CID 60953299
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 55456224
N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 60687494
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 1059704

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55875270) is 3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(C1CC(c2ccc(Cl)s2)=NO1)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WWUGZKKIQOHBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S2/c19-17-6-5-16(26-17)14-9-15(24-20-14)18(22)21(10-12-3-1-7-23-12)11-13-4-2-8-25-13/h2,4-6,8,12,15H,1,3,7,9-11H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 410.95 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55875270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).