(1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide

C17H18Cl2N2O2 — CID 30094731

IUPAC(1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide
SMILESCc1noc(C)c1CN(C(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O2/c1-11-14(12(2)23-20-11)9-21(13-7-5-4-6-8-13)15(22)16(3)10-17(16,18)19/h4-8H,9-10H2,1-3H3/t16-/m0/s1
InChIKeyMGENZLVULKXJCL-INIZCTEOSA-N
MW353.25 g/mol
LogP4.41
Rot. Bonds4

About (1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide (PubChem CID 30094731) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide
PubChem CID30094731
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name(1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide
SMILESCc1noc(C)c1CN(C(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O2/c1-11-14(12(2)23-20-11)9-21(13-7-5-4-6-8-13)15(22)16(3)10-17(16,18)19/h4-8H,9-10H2,1-3H3/t16-/m0/s1
InChIKeyMGENZLVULKXJCL-INIZCTEOSA-N
XLogP4.41
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylthiourea
CID 2108386
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxo-N-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167827584
(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 95226046
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-phenylprop-2-enamide
CID 30038002
N-(cyanomethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-phenylacetamide
CID 112777798
(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 94665811
1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
CID 75461031
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378051
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethyl-3-phenylbutanamide
CID 86852790
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-phenylacetamide
CID 43025463
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-phenylpropan-1-ol
CID 45231089

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide (CID 30094731) is (1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide is Cc1noc(C)c1CN(C(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1.
What is the InChIKey of (1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide?
The InChIKey is MGENZLVULKXJCL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11-14(12(2)23-20-11)9-21(13-7-5-4-6-8-13)15(22)16(3)10-17(16,18)19/h4-8H,9-10H2,1-3H3/t16-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 30094731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).