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

C9H15N3O2 — CID 106415604

IUPAC1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea
SMILESCC(C)(C)NC(=O)NCc1ccno1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)12-8(13)10-6-7-4-5-11-14-7/h4-5H,6H2,1-3H3,(H2,10,12,13)
InChIKeyTZHUYRQXJQVMQF-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.27
Rot. Bonds2

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

1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea (PubChem CID 106415604) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea
PubChem CID106415604
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea
SMILESCC(C)(C)NC(=O)NCc1ccno1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)12-8(13)10-6-7-4-5-11-14-7/h4-5H,6H2,1-3H3,(H2,10,12,13)
InChIKeyTZHUYRQXJQVMQF-UHFFFAOYSA-N
XLogP1.27
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

2-methyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106420969
3-methyl-3-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421030
2-(tert-butylamino)-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600446
3,3-dimethyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421303
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
1-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415574
2-(ethylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 106417135
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea
CID 146078308
2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide
CID 119065059
3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 106417021
4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
CID 106422079
1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea
CID 110748926

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea?
The IUPAC name of 1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea (CID 106415604) is 1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea?
The canonical SMILES for 1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea is CC(C)(C)NC(=O)NCc1ccno1.
What is the InChIKey of 1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea?
The InChIKey is TZHUYRQXJQVMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)12-8(13)10-6-7-4-5-11-14-7/h4-5H,6H2,1-3H3,(H2,10,12,13).
What are the key properties of 1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea?
1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea has a molecular weight of 197.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea is sourced from PubChem (CID 106415604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).