N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide

C15H13N3O3S — CID 53156179

IUPACN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-c2nc(C3CC3)no2)s1)c1ccco1
InChIInChI=1S/C15H13N3O3S/c19-14(11-2-1-7-20-11)16-8-10-5-6-12(22-10)15-17-13(18-21-15)9-3-4-9/h1-2,5-7,9H,3-4,8H2,(H,16,19)
InChIKeyWYRHNYDNQSRUFH-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.20
Rot. Bonds5

About N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide

N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide (PubChem CID 53156179) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide
PubChem CID53156179
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-c2nc(C3CC3)no2)s1)c1ccco1
InChIInChI=1S/C15H13N3O3S/c19-14(11-2-1-7-20-11)16-8-10-5-6-12(22-10)15-17-13(18-21-15)9-3-4-9/h1-2,5-7,9H,3-4,8H2,(H,16,19)
InChIKeyWYRHNYDNQSRUFH-UHFFFAOYSA-N
XLogP3.20
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide
CID 53156199
N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide
CID 53156143
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 53156193
2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-6-fluorobenzamide
CID 53156185
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide
CID 53156192
2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide
CID 53156195
N-[[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 122245423
3-[5-[(furan-2-carbonylamino)methyl]thiophen-2-yl]prop-2-enoic acid
CID 77033663
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide
CID 53156123
N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 32617949
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 90612101

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide (CID 53156179) is N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide is O=C(NCc1ccc(-c2nc(C3CC3)no2)s1)c1ccco1.
What is the InChIKey of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide?
The InChIKey is WYRHNYDNQSRUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-14(11-2-1-7-20-11)16-8-10-5-6-12(22-10)15-17-13(18-21-15)9-3-4-9/h1-2,5-7,9H,3-4,8H2,(H,16,19).
What are the key properties of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide?
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 53156179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).