[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea

C14H15N5O4 — CID 86298107

IUPAC[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea
SMILESCc1noc(-c2ccc(N3CC(CNC(N)=O)OC3=O)cc2)n1
InChIInChI=1S/C14H15N5O4/c1-8-17-12(23-18-8)9-2-4-10(5-3-9)19-7-11(22-14(19)21)6-16-13(15)20/h2-5,11H,6-7H2,1H3,(H3,15,16,20)
InChIKeyBHPVQDBJGHPODA-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.04
Rot. Bonds4

About [3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea

[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea (PubChem CID 86298107) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is [3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea.

Molecular Properties

Compound Name[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea
PubChem CID86298107
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea
SMILESCc1noc(-c2ccc(N3CC(CNC(N)=O)OC3=O)cc2)n1
InChIInChI=1S/C14H15N5O4/c1-8-17-12(23-18-8)9-2-4-10(5-3-9)19-7-11(22-14(19)21)6-16-13(15)20/h2-5,11H,6-7H2,1H3,(H3,15,16,20)
InChIKeyBHPVQDBJGHPODA-UHFFFAOYSA-N
XLogP1.04
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 71740720
[2-oxo-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methylthiourea
CID 86298317
[3-[3,5-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 86297901
[3-[3,5-dichloro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 86297899
N-[[(5S)-3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 71740964
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920543
2-methyl-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920545
[2-oxo-3-(4-pyridin-4-ylphenyl)-1,3-oxazolidin-5-yl]methylthiourea
CID 85054920
2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920637
2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 51451946
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 16921393
N-[[2-oxo-3-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987746

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea?
The IUPAC name of [3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea (CID 86298107) is [3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea.
What is the SMILES notation for [3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea?
The canonical SMILES for [3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea is Cc1noc(-c2ccc(N3CC(CNC(N)=O)OC3=O)cc2)n1.
What is the InChIKey of [3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea?
The InChIKey is BHPVQDBJGHPODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-8-17-12(23-18-8)9-2-4-10(5-3-9)19-7-11(22-14(19)21)6-16-13(15)20/h2-5,11H,6-7H2,1H3,(H3,15,16,20).
What are the key properties of [3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea?
[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea has a molecular weight of 317.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea is sourced from PubChem (CID 86298107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).