N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide

C16H20N2O2S — CID 134004505

IUPACN-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1noc(C)c1CCC(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H20N2O2S/c1-11-15(12(2)20-17-11)7-8-16(19)18(13-5-6-13)10-14-4-3-9-21-14/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeySEVQNWRFBUWROA-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.48
Rot. Bonds6

About N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide

N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 134004505) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID134004505
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1noc(C)c1CCC(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H20N2O2S/c1-11-15(12(2)20-17-11)7-8-16(19)18(13-5-6-13)10-14-4-3-9-21-14/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeySEVQNWRFBUWROA-UHFFFAOYSA-N
XLogP3.48
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 90610632
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 78806436
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 33080733
N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119715445
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
N-cyclopropyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 37483995
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267
N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide
CID 134004464
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992646
N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37483928
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 134004505) is N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide is Cc1noc(C)c1CCC(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is SEVQNWRFBUWROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-15(12(2)20-17-11)7-8-16(19)18(13-5-6-13)10-14-4-3-9-21-14/h3-4,9,13H,5-8,10H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 304.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 134004505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).