4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

C21H22N2O3 — CID 2477104

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H22N2O3/c24-20(22-17-10-5-8-15-7-1-2-9-16(15)17)13-6-14-23-18-11-3-4-12-19(18)26-21(23)25/h1-4,7,9,11-12,17H,5-6,8,10,13-14H2,(H,22,24)/t17-/m1/s1
InChIKeyDIMFUGTUMXHRMT-QGZVFWFLSA-N
MW350.42 g/mol
LogP3.57
Rot. Bonds5

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (PubChem CID 2477104) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
PubChem CID2477104
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H22N2O3/c24-20(22-17-10-5-8-15-7-1-2-9-16(15)17)13-6-14-23-18-11-3-4-12-19(18)26-21(23)25/h1-4,7,9,11-12,17H,5-6,8,10,13-14H2,(H,22,24)/t17-/m1/s1
InChIKeyDIMFUGTUMXHRMT-QGZVFWFLSA-N
XLogP3.57
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400359
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 55310884
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7046162
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94821272
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 110236789
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822337
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 126786894
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 24542983
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 7479503
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (CID 2477104) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is O=C(CCCn1c(=O)oc2ccccc21)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The InChIKey is DIMFUGTUMXHRMT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(22-17-10-5-8-15-7-1-2-9-16(15)17)13-6-14-23-18-11-3-4-12-19(18)26-21(23)25/h1-4,7,9,11-12,17H,5-6,8,10,13-14H2,(H,22,24)/t17-/m1/s1.
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is sourced from PubChem (CID 2477104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).