tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate

C23H26N2O4 — CID 68886047

IUPACtert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate
SMILESCc1oc(-c2ccccc2)nc1CN(C(=O)OC(C)(C)C)c1ccc(CO)cc1
InChIInChI=1S/C23H26N2O4/c1-16-20(24-21(28-16)18-8-6-5-7-9-18)14-25(22(27)29-23(2,3)4)19-12-10-17(15-26)11-13-19/h5-13,26H,14-15H2,1-4H3
InChIKeyPRJJGCGJZKKAAH-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.08
Rot. Bonds5

About tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate

tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate (PubChem CID 68886047) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate
PubChem CID68886047
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nametert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate
SMILESCc1oc(-c2ccccc2)nc1CN(C(=O)OC(C)(C)C)c1ccc(CO)cc1
InChIInChI=1S/C23H26N2O4/c1-16-20(24-21(28-16)18-8-6-5-7-9-18)14-25(22(27)29-23(2,3)4)19-12-10-17(15-26)11-13-19/h5-13,26H,14-15H2,1-4H3
InChIKeyPRJJGCGJZKKAAH-UHFFFAOYSA-N
XLogP5.08
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
tert-butyl 2-[(4-methylphenyl)methyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate
CID 20605015
2-[4-[[bis[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 23159283
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
CID 143695884
tert-butyl N-(cyclopropylmethyl)-N-[4-(hydroxymethyl)phenyl]carbamate
CID 153425981
N-benzyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]hydroxylamine
CID 23176293
N-ethyl-2-[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 52663048
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51335973
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 46639103
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate
CID 174457972
N-(1-amino-2-methylpropan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119523291
N'-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N'-phenylacetohydrazide
CID 51112549

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate (CID 68886047) is tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate is Cc1oc(-c2ccccc2)nc1CN(C(=O)OC(C)(C)C)c1ccc(CO)cc1.
What is the InChIKey of tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate?
The InChIKey is PRJJGCGJZKKAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16-20(24-21(28-16)18-8-6-5-7-9-18)14-25(22(27)29-23(2,3)4)19-12-10-17(15-26)11-13-19/h5-13,26H,14-15H2,1-4H3.
What are the key properties of tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate?
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate has a molecular weight of 394.47 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(hydroxymethyl)phenyl]-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]carbamate is sourced from PubChem (CID 68886047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).