N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide

C16H15N5O3 — CID 91797778

IUPACN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
SMILESCC(NC(=O)c1nc(=O)[nH]c2ccccc12)c1nc(C2CC2)no1
InChIInChI=1S/C16H15N5O3/c1-8(15-20-13(21-24-15)9-6-7-9)17-14(22)12-10-4-2-3-5-11(10)18-16(23)19-12/h2-5,8-9H,6-7H2,1H3,(H,17,22)(H,18,19,23)
InChIKeyVRUGQRCRQDRBCK-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.67
Rot. Bonds4

About N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 91797778) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID91797778
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
SMILESCC(NC(=O)c1nc(=O)[nH]c2ccccc12)c1nc(C2CC2)no1
InChIInChI=1S/C16H15N5O3/c1-8(15-20-13(21-24-15)9-6-7-9)17-14(22)12-10-4-2-3-5-11(10)18-16(23)19-12/h2-5,8-9H,6-7H2,1H3,(H,17,22)(H,18,19,23)
InChIKeyVRUGQRCRQDRBCK-UHFFFAOYSA-N
XLogP1.67
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
CID 122564099
N-cyclopentyl-2-oxo-1H-quinazoline-4-carboxamide
CID 110702489
N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702557
4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 122566894
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 91772701
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125439668
6-bromo-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide
CID 102557032
6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide
CID 99807577
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 125445797
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 125159643

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide (CID 91797778) is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide is CC(NC(=O)c1nc(=O)[nH]c2ccccc12)c1nc(C2CC2)no1.
What is the InChIKey of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is VRUGQRCRQDRBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-8(15-20-13(21-24-15)9-6-7-9)17-14(22)12-10-4-2-3-5-11(10)18-16(23)19-12/h2-5,8-9H,6-7H2,1H3,(H,17,22)(H,18,19,23).
What are the key properties of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide?
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 91797778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).