5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one

C15H19NO2 — CID 118259001

IUPAC5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one
SMILESCC(C)(C)c1ccc2oc(=O)n(CC3CC3)c2c1
InChIInChI=1S/C15H19NO2/c1-15(2,3)11-6-7-13-12(8-11)16(14(17)18-13)9-10-4-5-10/h6-8,10H,4-5,9H2,1-3H3
InChIKeyNWMOVCOSPVQTLC-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.30
Rot. Bonds2

About 5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one

5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one (PubChem CID 118259001) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one
PubChem CID118259001
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one
SMILESCC(C)(C)c1ccc2oc(=O)n(CC3CC3)c2c1
InChIInChI=1S/C15H19NO2/c1-15(2,3)11-6-7-13-12(8-11)16(14(17)18-13)9-10-4-5-10/h6-8,10H,4-5,9H2,1-3H3
InChIKeyNWMOVCOSPVQTLC-UHFFFAOYSA-N
XLogP3.30
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-3-(oxan-4-ylmethyl)-1,3-benzoxazol-2-one
CID 118259004
5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-2-one
CID 118259006
5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one
CID 82105315
6-amino-3-(cyclobutylmethyl)-1,3-benzoxazol-2-one
CID 65458515
3-(oxan-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one
CID 142412704
5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one
CID 134553560
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488264
5-bromo-3-(2-hydroxy-2-methylpropyl)-1,3-benzoxazol-2-one
CID 118253847
3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one
CID 82357274
5-amino-3-(2-tert-butylsulfonylethyl)-1,3-benzoxazol-2-one
CID 106724661
5-(1-amino-3-hydroxy-2-methylpropan-2-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116835434
5-ethyl-3-(2-hydroxy-2-methylpropyl)-1,3-benzoxazol-2-one
CID 134527821

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one (CID 118259001) is 5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one is CC(C)(C)c1ccc2oc(=O)n(CC3CC3)c2c1.
What is the InChIKey of 5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one?
The InChIKey is NWMOVCOSPVQTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2,3)11-6-7-13-12(8-11)16(14(17)18-13)9-10-4-5-10/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one?
5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 118259001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).