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

C10H17N3O2 — CID 103738714

IUPAC1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
SMILESCCCCNC(=O)NCc1ncc(C)o1
InChIInChI=1S/C10H17N3O2/c1-3-4-5-11-10(14)13-7-9-12-6-8(2)15-9/h6H,3-5,7H2,1-2H3,(H2,11,13,14)
InChIKeyHBHVBNJEFJEWTM-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.58
Rot. Bonds5

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

1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 103738714) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID103738714
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
SMILESCCCCNC(=O)NCc1ncc(C)o1
InChIInChI=1S/C10H17N3O2/c1-3-4-5-11-10(14)13-7-9-12-6-8(2)15-9/h6H,3-5,7H2,1-2H3,(H2,11,13,14)
InChIKeyHBHVBNJEFJEWTM-UHFFFAOYSA-N
XLogP1.58
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Methyl-1,3-oxazol-5-yl)methanamine
CID 19105071
(5-Methyl-1,3-Oxazol-2-Yl)Methanamine
CID 24254960
1-(5-Methyl-1,3-oxazol-2-yl)ethan-1-amine
CID 24255020
(5-Ethyl-1,3-oxazol-2-yl)methanamine
CID 65180193
(5-Methyl-1,3-oxazol-2-yl)methanamine hydrochloride
CID 134129825
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1-propylpyrrolidin-3-yl)acetamide
CID 71928352
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide hydrochloride
CID 71756632
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71756633
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71873202
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide
CID 71983339
2-[(5-Methyl-1,3-oxazol-2-yl)methyl-propan-2-ylamino]acetamide
CID 71989151
N-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboxamide
CID 103916592

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea (CID 103738714) is 1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea is CCCCNC(=O)NCc1ncc(C)o1.
What is the InChIKey of 1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is HBHVBNJEFJEWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-5-11-10(14)13-7-9-12-6-8(2)15-9/h6H,3-5,7H2,1-2H3,(H2,11,13,14).
What are the key properties of 1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea?
1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 211.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 103738714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).