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

C17H21N3O3 — CID 97275350

IUPAC(3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCc1noc(CN(CC)C(=O)[C@@H]2COc3ccccc3C2)n1
InChIInChI=1S/C17H21N3O3/c1-3-15-18-16(23-19-15)10-20(4-2)17(21)13-9-12-7-5-6-8-14(12)22-11-13/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m0/s1
InChIKeyAWSNGEVLIJODER-ZDUSSCGKSA-N
MW315.37 g/mol
LogP2.23
Rot. Bonds5

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

(3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97275350) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97275350
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCc1noc(CN(CC)C(=O)[C@@H]2COc3ccccc3C2)n1
InChIInChI=1S/C17H21N3O3/c1-3-15-18-16(23-19-15)10-20(4-2)17(21)13-9-12-7-5-6-8-14(12)22-11-13/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m0/s1
InChIKeyAWSNGEVLIJODER-ZDUSSCGKSA-N
XLogP2.23
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

(3R)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 154924589
N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72899466
(3S)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97137497
(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279816
N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041165
(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97156039
N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 63591250
N-methyl-N-(1,2-oxazol-5-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 155965634
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779278
(3S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97109601
(3R)-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115858
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97280494

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 97275350) is (3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is CCc1noc(CN(CC)C(=O)[C@@H]2COc3ccccc3C2)n1.
What is the InChIKey of (3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is AWSNGEVLIJODER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-15-18-16(23-19-15)10-20(4-2)17(21)13-9-12-7-5-6-8-14(12)22-11-13/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97275350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).