(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide

C17H22N2O2S — CID 95226046

IUPAC(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@@]1(c2cccs2)CC1(C)C
InChIInChI=1S/C17H22N2O2S/c1-11-13(12(2)21-18-11)9-19(5)15(20)17(10-16(17,3)4)14-7-6-8-22-14/h6-8H,9-10H2,1-5H3/t17-/m0/s1
InChIKeyIOWMKMIMFKZZNY-KRWDZBQOSA-N
MW318.44 g/mol
LogP3.68
Rot. Bonds4

About (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide

(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 95226046) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID95226046
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@@]1(c2cccs2)CC1(C)C
InChIInChI=1S/C17H22N2O2S/c1-11-13(12(2)21-18-11)9-19(5)15(20)17(10-16(17,3)4)14-7-6-8-22-14/h6-8H,9-10H2,1-5H3/t17-/m0/s1
InChIKeyIOWMKMIMFKZZNY-KRWDZBQOSA-N
XLogP3.68
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea
CID 94668730
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
CID 95135788
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide
CID 70774408
(1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide
CID 30094731
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 78806436
1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115437572
N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 134004505
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47209103
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylprop-2-enamide
CID 60949726

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 95226046) is (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide is Cc1noc(C)c1CN(C)C(=O)[C@@]1(c2cccs2)CC1(C)C.
What is the InChIKey of (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is IOWMKMIMFKZZNY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11-13(12(2)21-18-11)9-19(5)15(20)17(10-16(17,3)4)14-7-6-8-22-14/h6-8H,9-10H2,1-5H3/t17-/m0/s1.
What are the key properties of (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 95226046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).