1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea

C14H21N5O2 — CID 71992470

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea
SMILESCc1noc(C)c1NC(=O)NCCCCn1ccnc1C
InChIInChI=1S/C14H21N5O2/c1-10-13(11(2)21-18-10)17-14(20)16-6-4-5-8-19-9-7-15-12(19)3/h7,9H,4-6,8H2,1-3H3,(H2,16,17,20)
InChIKeyLDYRLWZMJNMBBG-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.40
Rot. Bonds6

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea (PubChem CID 71992470) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea
PubChem CID71992470
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea
SMILESCc1noc(C)c1NC(=O)NCCCCn1ccnc1C
InChIInChI=1S/C14H21N5O2/c1-10-13(11(2)21-18-10)17-14(20)16-6-4-5-8-19-9-7-15-12(19)3/h7,9H,4-6,8H2,1-3H3,(H2,16,17,20)
InChIKeyLDYRLWZMJNMBBG-UHFFFAOYSA-N
XLogP2.40
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea (CID 71992470) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea is Cc1noc(C)c1NC(=O)NCCCCn1ccnc1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea?
The InChIKey is LDYRLWZMJNMBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10-13(11(2)21-18-10)17-14(20)16-6-4-5-8-19-9-7-15-12(19)3/h7,9H,4-6,8H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea has a molecular weight of 291.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(2-methylimidazol-1-yl)butyl]urea is sourced from PubChem (CID 71992470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).