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

C18H21N3O3 — CID 97156039

IUPAC(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)[C@H]1COc2ccccc2C1
InChIInChI=1S/C18H21N3O3/c1-21(9-8-16-19-17(24-20-16)12-6-7-12)18(22)14-10-13-4-2-3-5-15(13)23-11-14/h2-5,12,14H,6-11H2,1H3/t14-/m1/s1
InChIKeyGXYIKUPQGZSNFT-CQSZACIVSA-N
MW327.38 g/mol
LogP2.20
Rot. Bonds5

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

(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97156039) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97156039
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)[C@H]1COc2ccccc2C1
InChIInChI=1S/C18H21N3O3/c1-21(9-8-16-19-17(24-20-16)12-6-7-12)18(22)14-10-13-4-2-3-5-15(13)23-11-14/h2-5,12,14H,6-11H2,1H3/t14-/m1/s1
InChIKeyGXYIKUPQGZSNFT-CQSZACIVSA-N
XLogP2.20
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
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(3S)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
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N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72899466
(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 97156039) is (3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is CN(CCc1noc(C2CC2)n1)C(=O)[C@H]1COc2ccccc2C1.
What is the InChIKey of (3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is GXYIKUPQGZSNFT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(9-8-16-19-17(24-20-16)12-6-7-12)18(22)14-10-13-4-2-3-5-15(13)23-11-14/h2-5,12,14H,6-11H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97156039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).