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

C19H18N4O2 — CID 45182858

IUPAC4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCCc2nc(-c3ccccc3)ncc21
InChIInChI=1S/C19H18N4O2/c1-12-17(25-11-21-12)19(24)23-16-9-5-8-15-14(16)10-20-18(22-15)13-6-3-2-4-7-13/h2-4,6-7,10-11,16H,5,8-9H2,1H3,(H,23,24)
InChIKeyKRJDHYYMENRRQJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.25
Rot. Bonds3

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

4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide (PubChem CID 45182858) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide
PubChem CID45182858
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCCc2nc(-c3ccccc3)ncc21
InChIInChI=1S/C19H18N4O2/c1-12-17(25-11-21-12)19(24)23-16-9-5-8-15-14(16)10-20-18(22-15)13-6-3-2-4-7-13/h2-4,6-7,10-11,16H,5,8-9H2,1H3,(H,23,24)
InChIKeyKRJDHYYMENRRQJ-UHFFFAOYSA-N
XLogP3.25
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide (CID 45182858) is 4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCCc2nc(-c3ccccc3)ncc21.
What is the InChIKey of 4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is KRJDHYYMENRRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-17(25-11-21-12)19(24)23-16-9-5-8-15-14(16)10-20-18(22-15)13-6-3-2-4-7-13/h2-4,6-7,10-11,16H,5,8-9H2,1H3,(H,23,24).
What are the key properties of 4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide?
4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45182858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).