1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea

C14H21N5O2 — CID 71982705

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)NCc2ncc(C(C)(C)C)o2)cn1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)11-7-15-12(21-11)8-17-13(20)16-5-10-6-18-19(4)9-10/h6-7,9H,5,8H2,1-4H3,(H2,16,17,20)
InChIKeyIADQOPBMJSCQSF-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.71
Rot. Bonds4

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 71982705) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID71982705
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)NCc2ncc(C(C)(C)C)o2)cn1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)11-7-15-12(21-11)8-17-13(20)16-5-10-6-18-19(4)9-10/h6-7,9H,5,8H2,1-4H3,(H2,16,17,20)
InChIKeyIADQOPBMJSCQSF-UHFFFAOYSA-N
XLogP1.71
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 71982705) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea is Cn1cc(CNC(=O)NCc2ncc(C(C)(C)C)o2)cn1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is IADQOPBMJSCQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-14(2,3)11-7-15-12(21-11)8-17-13(20)16-5-10-6-18-19(4)9-10/h6-7,9H,5,8H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 291.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 71982705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).