5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide

C20H19N5O2 — CID 45177458

IUPAC5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCCc2nc(-c3cccnc3)ncc21)c1ncoc1C1CC1
InChIInChI=1S/C20H19N5O2/c26-20(17-18(12-6-7-12)27-11-23-17)25-16-5-1-4-15-14(16)10-22-19(24-15)13-3-2-8-21-9-13/h2-3,8-12,16H,1,4-7H2,(H,25,26)
InChIKeyZWNZPILREBRKHI-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.21
Rot. Bonds4

About 5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 45177458) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID45177458
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCCc2nc(-c3cccnc3)ncc21)c1ncoc1C1CC1
InChIInChI=1S/C20H19N5O2/c26-20(17-18(12-6-7-12)27-11-23-17)25-16-5-1-4-15-14(16)10-22-19(24-15)13-3-2-8-21-9-13/h2-3,8-12,16H,1,4-7H2,(H,25,26)
InChIKeyZWNZPILREBRKHI-UHFFFAOYSA-N
XLogP3.21
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide (CID 45177458) is 5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide is O=C(NC1CCCc2nc(-c3cccnc3)ncc21)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZWNZPILREBRKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-20(17-18(12-6-7-12)27-11-23-17)25-16-5-1-4-15-14(16)10-22-19(24-15)13-3-2-8-21-9-13/h2-3,8-12,16H,1,4-7H2,(H,25,26).
What are the key properties of 5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45177458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).