N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide

C19H23N3O3 — CID 75376285

IUPACN-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCc1nc(C2(NC(=O)C3CCOc4ccccc43)CCCC2)no1
InChIInChI=1S/C19H23N3O3/c1-2-16-20-18(22-25-16)19(10-5-6-11-19)21-17(23)14-9-12-24-15-8-4-3-7-13(14)15/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,21,23)
InChIKeyVCLNXBIJQGRYPN-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.08
Rot. Bonds4

About N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide

N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 75376285) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID75376285
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCc1nc(C2(NC(=O)C3CCOc4ccccc43)CCCC2)no1
InChIInChI=1S/C19H23N3O3/c1-2-16-20-18(22-25-16)19(10-5-6-11-19)21-17(23)14-9-12-24-15-8-4-3-7-13(14)15/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,21,23)
InChIKeyVCLNXBIJQGRYPN-UHFFFAOYSA-N
XLogP3.08
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674474
1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852688
N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide
CID 60587499
2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
CID 120549906
N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 106297206
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779273
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779512
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 126780940
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709735
3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid
CID 64889234
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 75376285) is N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide is CCc1nc(C2(NC(=O)C3CCOc4ccccc43)CCCC2)no1.
What is the InChIKey of N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is VCLNXBIJQGRYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-16-20-18(22-25-16)19(10-5-6-11-19)21-17(23)14-9-12-24-15-8-4-3-7-13(14)15/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,21,23).
What are the key properties of N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 75376285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).