3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H22N2O2 — CID 155961663

IUPAC3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCc2ccccc21)C1CC(C2CC2)=NO1
InChIInChI=1S/C18H22N2O2/c21-18(17-10-16(20-22-17)13-8-9-13)19-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-2,4,7,13-14,17H,3,5-6,8-11H2,(H,19,21)
InChIKeyTXJAHDVPSBYIFQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.78
Rot. Bonds4

About 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155961663) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155961663
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCc2ccccc21)C1CC(C2CC2)=NO1
InChIInChI=1S/C18H22N2O2/c21-18(17-10-16(20-22-17)13-8-9-13)19-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-2,4,7,13-14,17H,3,5-6,8-11H2,(H,19,21)
InChIKeyTXJAHDVPSBYIFQ-UHFFFAOYSA-N
XLogP2.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide
CID 94002234
8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide
CID 102560238
3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155957462
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 95326159
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 119181193
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485
(3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 51942286
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155961663) is 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCC1CCCc2ccccc21)C1CC(C2CC2)=NO1.
What is the InChIKey of 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is TXJAHDVPSBYIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(17-10-16(20-22-17)13-8-9-13)19-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-2,4,7,13-14,17H,3,5-6,8-11H2,(H,19,21).
What are the key properties of 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155961663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).