tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate

C18H21N3O3S — CID 59712276

IUPACtert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate
SMILESCC(C)c1sc(NC(=O)OC(C)(C)C)nc1-c1nc2ccccc2o1
InChIInChI=1S/C18H21N3O3S/c1-10(2)14-13(15-19-11-8-6-7-9-12(11)23-15)20-16(25-14)21-17(22)24-18(3,4)5/h6-10H,1-5H3,(H,20,21,22)
InChIKeyXCSKCVHFIGSYAK-UHFFFAOYSA-N
MW359.45 g/mol
LogP5.42
Rot. Bonds3

About tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate (PubChem CID 59712276) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate
PubChem CID59712276
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Nametert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate
SMILESCC(C)c1sc(NC(=O)OC(C)(C)C)nc1-c1nc2ccccc2o1
InChIInChI=1S/C18H21N3O3S/c1-10(2)14-13(15-19-11-8-6-7-9-12(11)23-15)20-16(25-14)21-17(22)24-18(3,4)5/h6-10H,1-5H3,(H,20,21,22)
InChIKeyXCSKCVHFIGSYAK-UHFFFAOYSA-N
XLogP5.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate with MolForge

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Related Compounds

[(1S)-1-(1,3-benzoxazol-2-yl)ethyl] (2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 99793916
tert-butyl N-[4-[(2S)-2-amino-3-(1,3-benzoxazol-2-yl)-3-hydroxypropyl]phenyl]carbamate
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tert-butyl N-[(1S,2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]carbamate
CID 129383705
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tert-butyl N-[(6S)-7-(1,3-benzoxazol-2-yl)-7-hydroxy-6-methylheptyl]carbamate
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N-[5-(1,3-benzoxazol-2-yl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 23458648
tert-butyl N-(4-propan-2-yl-2-thiophen-2-yl-1,3-oxazol-5-yl)carbamate
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tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790
tert-butyl 3-(1,3-benzoxazol-2-yl)propanoate
CID 10263988
tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate
CID 155390204
tert-butyl N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutyl]carbamate
CID 91179644
tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate (CID 59712276) is tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate is CC(C)c1sc(NC(=O)OC(C)(C)C)nc1-c1nc2ccccc2o1.
What is the InChIKey of tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate?
The InChIKey is XCSKCVHFIGSYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-10(2)14-13(15-19-11-8-6-7-9-12(11)23-15)20-16(25-14)21-17(22)24-18(3,4)5/h6-10H,1-5H3,(H,20,21,22).
What are the key properties of tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate has a molecular weight of 359.45 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1,3-benzoxazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 59712276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).