5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane

C25H27NO2 — CID 90914876

IUPAC5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane
SMILESCC(C)C.Cc1ccc2oc(-c3ccc(OCc4ccccc4)cc3)nc2c1
InChIInChI=1S/C21H17NO2.C4H10/c1-15-7-12-20-19(13-15)22-21(24-20)17-8-10-18(11-9-17)23-14-16-5-3-2-4-6-16;1-4(2)3/h2-13H,14H2,1H3;4H,1-3H3
InChIKeyYOHZLBNMPVHQOS-UHFFFAOYSA-N
MW373.50 g/mol
LogP7.04
Rot. Bonds4

About 5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane

5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane (PubChem CID 90914876) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane.

Molecular Properties

Compound Name5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane
PubChem CID90914876
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane
SMILESCC(C)C.Cc1ccc2oc(-c3ccc(OCc4ccccc4)cc3)nc2c1
InChIInChI=1S/C21H17NO2.C4H10/c1-15-7-12-20-19(13-15)22-21(24-20)17-8-10-18(11-9-17)23-14-16-5-3-2-4-6-16;1-4(2)3/h2-13H,14H2,1H3;4H,1-3H3
InChIKeyYOHZLBNMPVHQOS-UHFFFAOYSA-N
XLogP7.04
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole
CID 102448915
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469802
N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17113600
N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-phenylmethoxybenzamide
CID 17113508
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
CID 4550659
4-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenoxy]methyl]aniline
CID 91678619
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
CID 21212623
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
CID 3499921
N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17113648

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane?
The IUPAC name of 5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane (CID 90914876) is 5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane.
What is the SMILES notation for 5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane?
The canonical SMILES for 5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane is CC(C)C.Cc1ccc2oc(-c3ccc(OCc4ccccc4)cc3)nc2c1.
What is the InChIKey of 5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane?
The InChIKey is YOHZLBNMPVHQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2.C4H10/c1-15-7-12-20-19(13-15)22-21(24-20)17-8-10-18(11-9-17)23-14-16-5-3-2-4-6-16;1-4(2)3/h2-13H,14H2,1H3;4H,1-3H3.
What are the key properties of 5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane?
5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane has a molecular weight of 373.50 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane is sourced from PubChem (CID 90914876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).