2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C18H19N3O3 — CID 109137578

IUPAC2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)N2CCc3ccccc3C2)no1
InChIInChI=1S/C18H19N3O3/c1-11-8-16(20-24-11)19-17(22)14-9-15(14)18(23)21-7-6-12-4-2-3-5-13(12)10-21/h2-5,8,14-15H,6-7,9-10H2,1H3,(H,19,20,22)
InChIKeyUHWIDAGODTWVCZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.14
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 109137578) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID109137578
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2CC2C(=O)N2CCc3ccccc3C2)no1
InChIInChI=1S/C18H19N3O3/c1-11-8-16(20-24-11)19-17(22)14-9-15(14)18(23)21-7-6-12-4-2-3-5-13(12)10-21/h2-5,8,14-15H,6-7,9-10H2,1H3,(H,19,20,22)
InChIKeyUHWIDAGODTWVCZ-UHFFFAOYSA-N
XLogP2.14
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133449
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139223
N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxamide
CID 109137523
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 109137554
N-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxamide
CID 109137565
methyl 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109137549
3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 109259727
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 2166198
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143981
1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139692
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137458

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 109137578) is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2CC2C(=O)N2CCc3ccccc3C2)no1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is UHWIDAGODTWVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-8-16(20-24-11)19-17(22)14-9-15(14)18(23)21-7-6-12-4-2-3-5-13(12)10-21/h2-5,8,14-15H,6-7,9-10H2,1H3,(H,19,20,22).
What are the key properties of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109137578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).