1-butyl-3-(1,2-oxazol-5-ylmethyl)urea

C9H15N3O2 — CID 106415574

IUPAC1-butyl-3-(1,2-oxazol-5-ylmethyl)urea
SMILESCCCCNC(=O)NCc1ccno1
InChIInChI=1S/C9H15N3O2/c1-2-3-5-10-9(13)11-7-8-4-6-12-14-8/h4,6H,2-3,5,7H2,1H3,(H2,10,11,13)
InChIKeyASCVUPROMXNBPX-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.27
Rot. Bonds5

About 1-butyl-3-(1,2-oxazol-5-ylmethyl)urea

1-butyl-3-(1,2-oxazol-5-ylmethyl)urea (PubChem CID 106415574) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-butyl-3-(1,2-oxazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-butyl-3-(1,2-oxazol-5-ylmethyl)urea
PubChem CID106415574
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-butyl-3-(1,2-oxazol-5-ylmethyl)urea
SMILESCCCCNC(=O)NCc1ccno1
InChIInChI=1S/C9H15N3O2/c1-2-3-5-10-9(13)11-7-8-4-6-12-14-8/h4,6H,2-3,5,7H2,1H3,(H2,10,11,13)
InChIKeyASCVUPROMXNBPX-UHFFFAOYSA-N
XLogP1.27
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.27
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

7-(1,2-oxazol-5-ylmethylcarbamoylamino)heptanoic acid
CID 114186663
1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415604
2-methyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106420969
2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 106421246
3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 114186675
2-[[2-(1,2-oxazol-5-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106421005
2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide
CID 103605518
2-(ethylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 106417135
4-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106419406
3-amino-N-(1,2-oxazol-5-ylmethyl)hexanamide
CID 106417077
1-butyl-3-[(2-hydroxyphenyl)methyl]urea
CID 115598931
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1,2-oxazol-5-ylmethyl)urea?
The IUPAC name of 1-butyl-3-(1,2-oxazol-5-ylmethyl)urea (CID 106415574) is 1-butyl-3-(1,2-oxazol-5-ylmethyl)urea.
What is the SMILES notation for 1-butyl-3-(1,2-oxazol-5-ylmethyl)urea?
The canonical SMILES for 1-butyl-3-(1,2-oxazol-5-ylmethyl)urea is CCCCNC(=O)NCc1ccno1.
What is the InChIKey of 1-butyl-3-(1,2-oxazol-5-ylmethyl)urea?
The InChIKey is ASCVUPROMXNBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-5-10-9(13)11-7-8-4-6-12-14-8/h4,6H,2-3,5,7H2,1H3,(H2,10,11,13).
What are the key properties of 1-butyl-3-(1,2-oxazol-5-ylmethyl)urea?
1-butyl-3-(1,2-oxazol-5-ylmethyl)urea has a molecular weight of 197.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1,2-oxazol-5-ylmethyl)urea is sourced from PubChem (CID 106415574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).