N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H20N2O2 — CID 46416202

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H20N2O2/c24-20(16-8-5-13-3-1-2-4-15(13)11-16)22-17-9-10-19-18(12-17)23-21(25-19)14-6-7-14/h5,8-12,14H,1-4,6-7H2,(H,22,24)
InChIKeyJZYLELANAQGIEZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.84
Rot. Bonds3

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 46416202) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID46416202
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H20N2O2/c24-20(16-8-5-13-3-1-2-4-15(13)11-16)22-17-9-10-19-18(12-17)23-21(25-19)14-6-7-14/h5,8-12,14H,1-4,6-7H2,(H,22,24)
InChIKeyJZYLELANAQGIEZ-UHFFFAOYSA-N
XLogP4.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
CID 55851729
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55637878
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 46424527
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 51098304
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone;ethane
CID 178176303
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46424661
N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41266130
2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole
CID 82230661
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 46416202) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is JZYLELANAQGIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-20(16-8-5-13-3-1-2-4-15(13)11-16)22-17-9-10-19-18(12-17)23-21(25-19)14-6-7-14/h5,8-12,14H,1-4,6-7H2,(H,22,24).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 46416202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).