1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea

C14H19N3O2 — CID 71603055

IUPAC1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea
SMILESO=C(Nc1ncco1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H19N3O2/c18-13(17-14-15-1-2-19-14)16-12-10-4-8-3-9(6-10)7-11(12)5-8/h1-2,8-12H,3-7H2,(H2,15,16,17,18)
InChIKeyHDLORCWTSSWFJF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.62
Rot. Bonds2

About 1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea

1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea (PubChem CID 71603055) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea
PubChem CID71603055
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea
SMILESO=C(Nc1ncco1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H19N3O2/c18-13(17-14-15-1-2-19-14)16-12-10-4-8-3-9(6-10)7-11(12)5-8/h1-2,8-12H,3-7H2,(H2,15,16,17,18)
InChIKeyHDLORCWTSSWFJF-UHFFFAOYSA-N
XLogP2.62
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-adamantyl)-3-(1H-1,2,4-triazol-5-yl)urea
CID 23582287
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CID 17283236
1-(2-adamantyl)-3-(4-chlorophenyl)urea
CID 23581963
1-(2-adamantyl)-3-(4-phenylphenyl)urea
CID 3352723
N-(2-adamantyl)-4-chloropyridine-3-carboxamide
CID 81230801
N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114325830
N-(2-adamantyl)isoquinoline-1-carboxamide
CID 59799646
N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride
CID 162309751
1-[3-(azepan-1-yl)-3-oxopropyl]-3-(1,3-oxazol-2-yl)urea
CID 91650594
N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide
CID 121005122
1-(2-adamantyl)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)urea
CID 23582105
dioxomolybdenum(2+);bis(N-(1,3-oxazol-2-yl)carbamodithioate)
CID 87669576

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea?
The IUPAC name of 1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea (CID 71603055) is 1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea is O=C(Nc1ncco1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea?
The InChIKey is HDLORCWTSSWFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13(17-14-15-1-2-19-14)16-12-10-4-8-3-9(6-10)7-11(12)5-8/h1-2,8-12H,3-7H2,(H2,15,16,17,18).
What are the key properties of 1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea?
1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea has a molecular weight of 261.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(1,3-oxazol-2-yl)urea is sourced from PubChem (CID 71603055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).