N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C17H21N3O2 — CID 90503128

IUPACN-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCN(C)CCNC(=O)C1(c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C17H21N3O2/c1-20(2)11-10-18-16(21)17(8-9-17)15-12-14(22-19-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,21)
InChIKeyMZJWFOUNALQDGN-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90503128) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90503128
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCN(C)CCNC(=O)C1(c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C17H21N3O2/c1-20(2)11-10-18-16(21)17(8-9-17)15-12-14(22-19-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,21)
InChIKeyMZJWFOUNALQDGN-UHFFFAOYSA-N
XLogP2.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
N-(3-(2-hydroxynicotinamido)propyl)-5-phenylisoxazole-3-carboxamide
CID 60167648
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736
2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 1482045
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3236125
(3S,6S)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-6-(cyclopropylmethyl)-3-isobutylpiperazin-2-one
CID 68158557
N-cyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093740
5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 5308322
N-[3-(diethylamino)propyl][5-(4-hydroxyphenyl)isoxazol-3-yl]carboxamide
CID 5309234
2-(5-phenyl-1,2-oxazol-3-yl)-N-propylacetamide
CID 16878272
2-(5-phenyl-1,2-oxazol-3-yl)-N-propan-2-ylacetamide
CID 16878274

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90503128) is N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is CN(C)CCNC(=O)C1(c2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is MZJWFOUNALQDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(2)11-10-18-16(21)17(8-9-17)15-12-14(22-19-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90503128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).