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

C18H23N3O3 — CID 72934427

IUPACN-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)c1nc(CCN(C)C(=O)C2COc3ccccc3C2)no1
InChIInChI=1S/C18H23N3O3/c1-12(2)17-19-16(20-24-17)8-9-21(3)18(22)14-10-13-6-4-5-7-15(13)23-11-14/h4-7,12,14H,8-11H2,1-3H3
InChIKeyORKBEGSFQVHTAX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.45
Rot. Bonds5

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

N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72934427) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72934427
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)c1nc(CCN(C)C(=O)C2COc3ccccc3C2)no1
InChIInChI=1S/C18H23N3O3/c1-12(2)17-19-16(20-24-17)8-9-21(3)18(22)14-10-13-6-4-5-7-15(13)23-11-14/h4-7,12,14H,8-11H2,1-3H3
InChIKeyORKBEGSFQVHTAX-UHFFFAOYSA-N
XLogP2.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-[[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
CID 123287580
Morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 123513095
Azetidin-1-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 123989644
3-{3-[2-(3-Methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine
CID 86820612
2-(3-Methoxyphenyl)-1-(3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl)ethanone
CID 49744943
N-methyl-2-(2-methylphenoxy)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 52227730
4-({5-[2-(2-Methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-YL}methyl)-1-methylpiperidine
CID 56702230
[4-(Cyclopropylmethoxy)phenyl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72147287
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylchromane-3-carboxamide
CID 72846018
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylchromane-3-carboxamide
CID 72847884
N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]chromane-3-carboxamide
CID 72888590
N-[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]chromane-3-carboxamide
CID 72889987

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72934427) is N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)c1nc(CCN(C)C(=O)C2COc3ccccc3C2)no1.
What is the InChIKey of N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ORKBEGSFQVHTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)17-19-16(20-24-17)8-9-21(3)18(22)14-10-13-6-4-5-7-15(13)23-11-14/h4-7,12,14H,8-11H2,1-3H3.
What are the key properties of N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72934427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).