1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea

C21H23N3O3 — CID 60522595

IUPAC1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)c1ccc(OCc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C21H23N3O3/c1-15(2)22-21(25)24(3)18-9-11-19(12-10-18)26-14-17-13-20(27-23-17)16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3,(H,22,25)
InChIKeyVPSDAGAKZIYTNG-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.47
Rot. Bonds6

About 1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea

1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea (PubChem CID 60522595) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea
PubChem CID60522595
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)c1ccc(OCc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C21H23N3O3/c1-15(2)22-21(25)24(3)18-9-11-19(12-10-18)26-14-17-13-20(27-23-17)16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3,(H,22,25)
InChIKeyVPSDAGAKZIYTNG-UHFFFAOYSA-N
XLogP4.47
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea (CID 60522595) is 1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)N(C)c1ccc(OCc2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea?
The InChIKey is VPSDAGAKZIYTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(2)22-21(25)24(3)18-9-11-19(12-10-18)26-14-17-13-20(27-23-17)16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3,(H,22,25).
What are the key properties of 1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea?
1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea has a molecular weight of 365.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 60522595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).