tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate

C19H27N3O4 — CID 164562639

IUPACtert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate
SMILESCc1nc(C(C)(C)C(O)c2ccc(NC(=O)OC(C)(C)C)cn2)oc1C
InChIInChI=1S/C19H27N3O4/c1-11-12(2)25-16(21-11)19(6,7)15(23)14-9-8-13(10-20-14)22-17(24)26-18(3,4)5/h8-10,15,23H,1-7H3,(H,22,24)
InChIKeyAVQYQGLOIKHOAU-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.04
Rot. Bonds4

About tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate

tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate (PubChem CID 164562639) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate
PubChem CID164562639
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nametert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate
SMILESCc1nc(C(C)(C)C(O)c2ccc(NC(=O)OC(C)(C)C)cn2)oc1C
InChIInChI=1S/C19H27N3O4/c1-11-12(2)25-16(21-11)19(6,7)15(23)14-9-8-13(10-20-14)22-17(24)26-18(3,4)5/h8-10,15,23H,1-7H3,(H,22,24)
InChIKeyAVQYQGLOIKHOAU-UHFFFAOYSA-N
XLogP4.04
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate
CID 167156948
tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
CID 97357103
diethyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carbonyl]amino]propanedioate
CID 69267799
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105
tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate
CID 168596980
tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate
CID 130338485
tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate
CID 137320728
(Z)-3-amino-2-[amino(methyl)amino]-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoic acid
CID 162377884
tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853
tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate (CID 164562639) is tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate is Cc1nc(C(C)(C)C(O)c2ccc(NC(=O)OC(C)(C)C)cn2)oc1C.
What is the InChIKey of tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate?
The InChIKey is AVQYQGLOIKHOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-11-12(2)25-16(21-11)19(6,7)15(23)14-9-8-13(10-20-14)22-17(24)26-18(3,4)5/h8-10,15,23H,1-7H3,(H,22,24).
What are the key properties of tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate?
tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate has a molecular weight of 361.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 164562639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).