N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide

C20H17N5O3S — CID 90607850

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccsc1-c1nc(C2CC2)no1
InChIInChI=1S/C20H17N5O3S/c26-16(7-9-25-11-21-14-4-2-1-3-13(14)20(25)27)22-15-8-10-29-17(15)19-23-18(24-28-19)12-5-6-12/h1-4,8,10-12H,5-7,9H2,(H,22,26)
InChIKeyINNYUBBLRIEUSP-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.41
Rot. Bonds6

About N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 90607850) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID90607850
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccsc1-c1nc(C2CC2)no1
InChIInChI=1S/C20H17N5O3S/c26-16(7-9-25-11-21-14-4-2-1-3-13(14)20(25)27)22-15-8-10-29-17(15)19-23-18(24-28-19)12-5-6-12/h1-4,8,10-12H,5-7,9H2,(H,22,26)
InChIKeyINNYUBBLRIEUSP-UHFFFAOYSA-N
XLogP3.41
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
CID 90607864
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-indol-1-ylacetamide
CID 90607818
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide
CID 90608029
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyrimidine-2-carboxamide
CID 90608082
benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate
CID 90608057
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122263906
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4870595
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 90607987
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 32862972
3-chloro-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607906

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 90607850) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1ccsc1-c1nc(C2CC2)no1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is INNYUBBLRIEUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c26-16(7-9-25-11-21-14-4-2-1-3-13(14)20(25)27)22-15-8-10-29-17(15)19-23-18(24-28-19)12-5-6-12/h1-4,8,10-12H,5-7,9H2,(H,22,26).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 407.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 90607850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).