1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea

C18H23N7O2 — CID 118780012

IUPAC1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea
SMILESCc1cc(-n2cnnn2)cc(NC(=O)NCCCc2c(C)noc2C)c1C
InChIInChI=1S/C18H23N7O2/c1-11-8-15(25-10-20-23-24-25)9-17(12(11)2)21-18(26)19-7-5-6-16-13(3)22-27-14(16)4/h8-10H,5-7H2,1-4H3,(H2,19,21,26)
InChIKeyHMYLDHKEGWREGK-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.64
Rot. Bonds6

About 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea (PubChem CID 118780012) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea
PubChem CID118780012
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea
SMILESCc1cc(-n2cnnn2)cc(NC(=O)NCCCc2c(C)noc2C)c1C
InChIInChI=1S/C18H23N7O2/c1-11-8-15(25-10-20-23-24-25)9-17(12(11)2)21-18(26)19-7-5-6-16-13(3)22-27-14(16)4/h8-10H,5-7H2,1-4H3,(H2,19,21,26)
InChIKeyHMYLDHKEGWREGK-UHFFFAOYSA-N
XLogP2.64
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700407
1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 118761432
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
CID 55813794
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea
CID 71973688
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111976785
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 9209133
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 34548815
1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 118776038
1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 119047495
3-amino-4-[2-methyl-5-(tetrazol-1-yl)anilino]-4-oxobutanoic acid
CID 64895694
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72935543
1-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 124847631

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea (CID 118780012) is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea is Cc1cc(-n2cnnn2)cc(NC(=O)NCCCc2c(C)noc2C)c1C.
What is the InChIKey of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea?
The InChIKey is HMYLDHKEGWREGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-11-8-15(25-10-20-23-24-25)9-17(12(11)2)21-18(26)19-7-5-6-16-13(3)22-27-14(16)4/h8-10H,5-7H2,1-4H3,(H2,19,21,26).
What are the key properties of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea?
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea has a molecular weight of 369.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 118780012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).