benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate

C15H18N2O4 — CID 166759403

IUPACbenzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate
SMILESO=C(NC1CCC2NC(=O)OC2C1)OCc1ccccc1
InChIInChI=1S/C15H18N2O4/c18-14(20-9-10-4-2-1-3-5-10)16-11-6-7-12-13(8-11)21-15(19)17-12/h1-5,11-13H,6-9H2,(H,16,18)(H,17,19)
InChIKeyPHWJNLQUWBFUDD-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.94
Rot. Bonds3

About benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate

benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate (PubChem CID 166759403) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate
PubChem CID166759403
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namebenzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate
SMILESO=C(NC1CCC2NC(=O)OC2C1)OCc1ccccc1
InChIInChI=1S/C15H18N2O4/c18-14(20-9-10-4-2-1-3-5-10)16-11-6-7-12-13(8-11)21-15(19)17-12/h1-5,11-13H,6-9H2,(H,16,18)(H,17,19)
InChIKeyPHWJNLQUWBFUDD-UHFFFAOYSA-N
XLogP1.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate with MolForge

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Related Compounds

benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
[(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate
CID 86744910
benzyl (3aS)-2-oxo-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate
CID 71214902
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate?
The IUPAC name of benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate (CID 166759403) is benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate.
What is the SMILES notation for benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate?
The canonical SMILES for benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate is O=C(NC1CCC2NC(=O)OC2C1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate?
The InChIKey is PHWJNLQUWBFUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(20-9-10-4-2-1-3-5-10)16-11-6-7-12-13(8-11)21-15(19)17-12/h1-5,11-13H,6-9H2,(H,16,18)(H,17,19).
What are the key properties of benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate?
benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate has a molecular weight of 290.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl)carbamate is sourced from PubChem (CID 166759403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).