tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate

C25H30N2O6 — CID 123256305

IUPACtert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate
SMILESCOCOCc1coc(COc2cccc(C(NC(=O)OC(C)(C)C)c3ccccc3)c2)n1
InChIInChI=1S/C25H30N2O6/c1-25(2,3)33-24(28)27-23(18-9-6-5-7-10-18)19-11-8-12-21(13-19)31-16-22-26-20(15-32-22)14-30-17-29-4/h5-13,15,23H,14,16-17H2,1-4H3,(H,27,28)
InChIKeyHRQIBLPBSDAYHU-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.99
Rot. Bonds10

About tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate

tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate (PubChem CID 123256305) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate
PubChem CID123256305
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Nametert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate
SMILESCOCOCc1coc(COc2cccc(C(NC(=O)OC(C)(C)C)c3ccccc3)c2)n1
InChIInChI=1S/C25H30N2O6/c1-25(2,3)33-24(28)27-23(18-9-6-5-7-10-18)19-11-8-12-21(13-19)31-16-22-26-20(15-32-22)14-30-17-29-4/h5-13,15,23H,14,16-17H2,1-4H3,(H,27,28)
InChIKeyHRQIBLPBSDAYHU-UHFFFAOYSA-N
XLogP4.99
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]phenoxy]propyl benzoate
CID 71093231
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylmethoxyethoxy)phenyl]acetate
CID 175103356
3-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxy-4-[[3-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]phenoxy]methyl]benzoic acid
CID 90203280
tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate
CID 104941376
tert-butyl N-[benzenesulfonyl-(3-phenylmethoxyphenyl)methyl]carbamate
CID 71268083
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenylmethoxyphenyl)propanoate
CID 101162727
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenoxypropanoate
CID 118862902
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl N-[(1R)-2,2-dicyano-1-phenylethyl]carbamate
CID 122398460
tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]carbamate
CID 58900543
tert-butyl N-[3-cyano-1-(3-ethoxyphenyl)propyl]carbamate
CID 70981207

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate (CID 123256305) is tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate is COCOCc1coc(COc2cccc(C(NC(=O)OC(C)(C)C)c3ccccc3)c2)n1.
What is the InChIKey of tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate?
The InChIKey is HRQIBLPBSDAYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-25(2,3)33-24(28)27-23(18-9-6-5-7-10-18)19-11-8-12-21(13-19)31-16-22-26-20(15-32-22)14-30-17-29-4/h5-13,15,23H,14,16-17H2,1-4H3,(H,27,28).
What are the key properties of tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate?
tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate has a molecular weight of 454.52 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[[4-(methoxymethoxymethyl)-1,3-oxazol-2-yl]methoxy]phenyl]-phenylmethyl]carbamate is sourced from PubChem (CID 123256305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).