1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide

C19H16ClN3O2 — CID 90504452

IUPAC1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1cccnc1NC(=O)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C19H16ClN3O2/c1-12-3-2-10-21-17(12)22-18(24)19(8-9-19)16-11-15(25-23-16)13-4-6-14(20)7-5-13/h2-7,10-11H,8-9H2,1H3,(H,21,22,24)
InChIKeyISHIJQKLRYQNTG-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.37
Rot. Bonds4

About 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide

1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 90504452) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID90504452
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1cccnc1NC(=O)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C19H16ClN3O2/c1-12-3-2-10-21-17(12)22-18(24)19(8-9-19)16-11-15(25-23-16)13-4-6-14(20)7-5-13/h2-7,10-11H,8-9H2,1H3,(H,21,22,24)
InChIKeyISHIJQKLRYQNTG-UHFFFAOYSA-N
XLogP4.37
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide (CID 90504452) is 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide is Cc1cccnc1NC(=O)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is ISHIJQKLRYQNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-12-3-2-10-21-17(12)22-18(24)19(8-9-19)16-11-15(25-23-16)13-4-6-14(20)7-5-13/h2-7,10-11H,8-9H2,1H3,(H,21,22,24).
What are the key properties of 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90504452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).