N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide

C23H27N5O2 — CID 110237738

IUPACN-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(CC)c1C(=O)NC1CC(C)(C)Cc2nc(-c3ccncc3)ncc21
InChIInChI=1S/C23H27N5O2/c1-5-16-20(19(6-2)30-28-16)22(29)27-18-12-23(3,4)11-17-15(18)13-25-21(26-17)14-7-9-24-10-8-14/h7-10,13,18H,5-6,11-12H2,1-4H3,(H,27,29)
InChIKeyHUFOQTCWAJPOMR-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.09
Rot. Bonds5

About N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide

N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide (PubChem CID 110237738) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide
PubChem CID110237738
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(CC)c1C(=O)NC1CC(C)(C)Cc2nc(-c3ccncc3)ncc21
InChIInChI=1S/C23H27N5O2/c1-5-16-20(19(6-2)30-28-16)22(29)27-18-12-23(3,4)11-17-15(18)13-25-21(26-17)14-7-9-24-10-8-14/h7-10,13,18H,5-6,11-12H2,1-4H3,(H,27,29)
InChIKeyHUFOQTCWAJPOMR-UHFFFAOYSA-N
XLogP4.09
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide (CID 110237738) is N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide is CCc1noc(CC)c1C(=O)NC1CC(C)(C)Cc2nc(-c3ccncc3)ncc21.
What is the InChIKey of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide?
The InChIKey is HUFOQTCWAJPOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-5-16-20(19(6-2)30-28-16)22(29)27-18-12-23(3,4)11-17-15(18)13-25-21(26-17)14-7-9-24-10-8-14/h7-10,13,18H,5-6,11-12H2,1-4H3,(H,27,29).
What are the key properties of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide?
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110237738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).