N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide

C22H24N4O2 — CID 122565883

IUPACN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide
SMILESCc1cc(CN(C)C(=O)c2cccc(-c3nc(C)c4c(n3)CCCC4)c2)on1
InChIInChI=1S/C22H24N4O2/c1-14-11-18(28-25-14)13-26(3)22(27)17-8-6-7-16(12-17)21-23-15(2)19-9-4-5-10-20(19)24-21/h6-8,11-12H,4-5,9-10,13H2,1-3H3
InChIKeyNCFONJPDQPNINJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.90
Rot. Bonds4

About N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide

N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide (PubChem CID 122565883) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide
PubChem CID122565883
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide
SMILESCc1cc(CN(C)C(=O)c2cccc(-c3nc(C)c4c(n3)CCCC4)c2)on1
InChIInChI=1S/C22H24N4O2/c1-14-11-18(28-25-14)13-26(3)22(27)17-8-6-7-16(12-17)21-23-15(2)19-9-4-5-10-20(19)24-21/h6-8,11-12H,4-5,9-10,13H2,1-3H3
InChIKeyNCFONJPDQPNINJ-UHFFFAOYSA-N
XLogP3.90
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide?
The IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide (CID 122565883) is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide is Cc1cc(CN(C)C(=O)c2cccc(-c3nc(C)c4c(n3)CCCC4)c2)on1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide?
The InChIKey is NCFONJPDQPNINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-11-18(28-25-14)13-26(3)22(27)17-8-6-7-16(12-17)21-23-15(2)19-9-4-5-10-20(19)24-21/h6-8,11-12H,4-5,9-10,13H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide?
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide is sourced from PubChem (CID 122565883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).