2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide

C13H15ClN4O2 — CID 134342695

IUPAC2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnc(Cl)cc2NC(C)C)nc1C(N)=O
InChIInChI=1S/C13H15ClN4O2/c1-6(2)17-9-4-10(14)16-5-8(9)13-18-11(12(15)19)7(3)20-13/h4-6H,1-3H3,(H2,15,19)(H,16,17)
InChIKeyTYYZBFOVVOSUNX-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.62
Rot. Bonds4

About 2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide

2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 134342695) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID134342695
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnc(Cl)cc2NC(C)C)nc1C(N)=O
InChIInChI=1S/C13H15ClN4O2/c1-6(2)17-9-4-10(14)16-5-8(9)13-18-11(12(15)19)7(3)20-13/h4-6H,1-3H3,(H2,15,19)(H,16,17)
InChIKeyTYYZBFOVVOSUNX-UHFFFAOYSA-N
XLogP2.62
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 134342695) is 2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2cnc(Cl)cc2NC(C)C)nc1C(N)=O.
What is the InChIKey of 2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is TYYZBFOVVOSUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-6(2)17-9-4-10(14)16-5-8(9)13-18-11(12(15)19)7(3)20-13/h4-6H,1-3H3,(H2,15,19)(H,16,17).
What are the key properties of 2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide?
2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 134342695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).