N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide

C15H15N5O3 — CID 154873280

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide
SMILESCc1noc(C(C)(C)NC(=O)c2ccc3c(=O)[nH]cnc3c2)n1
InChIInChI=1S/C15H15N5O3/c1-8-18-14(23-20-8)15(2,3)19-12(21)9-4-5-10-11(6-9)16-7-17-13(10)22/h4-7H,1-3H3,(H,19,21)(H,16,17,22)
InChIKeyHJLIPRHNJNDIDU-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.28
Rot. Bonds3

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide (PubChem CID 154873280) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide
PubChem CID154873280
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide
SMILESCc1noc(C(C)(C)NC(=O)c2ccc3c(=O)[nH]cnc3c2)n1
InChIInChI=1S/C15H15N5O3/c1-8-18-14(23-20-8)15(2,3)19-12(21)9-4-5-10-11(6-9)16-7-17-13(10)22/h4-7H,1-3H3,(H,19,21)(H,16,17,22)
InChIKeyHJLIPRHNJNDIDU-UHFFFAOYSA-N
XLogP1.28
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide (CID 154873280) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide is Cc1noc(C(C)(C)NC(=O)c2ccc3c(=O)[nH]cnc3c2)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide?
The InChIKey is HJLIPRHNJNDIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-8-18-14(23-20-8)15(2,3)19-12(21)9-4-5-10-11(6-9)16-7-17-13(10)22/h4-7H,1-3H3,(H,19,21)(H,16,17,22).
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide is sourced from PubChem (CID 154873280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).