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

C19H19N5O2 — CID 45194509

IUPAC5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NC1CCCc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C19H19N5O2/c1-2-16-17(22-11-26-16)19(25)24-15-7-3-6-14-13(15)10-21-18(23-14)12-5-4-8-20-9-12/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,24,25)
InChIKeyPHAOIUMUCJFKKX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.90
Rot. Bonds4

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

5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 45194509) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID45194509
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NC1CCCc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C19H19N5O2/c1-2-16-17(22-11-26-16)19(25)24-15-7-3-6-14-13(15)10-21-18(23-14)12-5-4-8-20-9-12/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,24,25)
InChIKeyPHAOIUMUCJFKKX-UHFFFAOYSA-N
XLogP2.90
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide (CID 45194509) is 5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)NC1CCCc2nc(-c3cccnc3)ncc21.
What is the InChIKey of 5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is PHAOIUMUCJFKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-16-17(22-11-26-16)19(25)24-15-7-3-6-14-13(15)10-21-18(23-14)12-5-4-8-20-9-12/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,24,25).
What are the key properties of 5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide?
5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45194509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).