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

C16H25N5O2 — CID 71909866

IUPAC1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
SMILESCCc1nn(C)c(CC)c1CNC(=O)Nc1cc(C(C)C)on1
InChIInChI=1S/C16H25N5O2/c1-6-12-11(13(7-2)21(5)19-12)9-17-16(22)18-15-8-14(10(3)4)23-20-15/h8,10H,6-7,9H2,1-5H3,(H2,17,18,20,22)
InChIKeyKCBUFIBDWKGRJX-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.98
Rot. Bonds6

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

1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea (PubChem CID 71909866) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
PubChem CID71909866
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
SMILESCCc1nn(C)c(CC)c1CNC(=O)Nc1cc(C(C)C)on1
InChIInChI=1S/C16H25N5O2/c1-6-12-11(13(7-2)21(5)19-12)9-17-16(22)18-15-8-14(10(3)4)23-20-15/h8,10H,6-7,9H2,1-5H3,(H2,17,18,20,22)
InChIKeyKCBUFIBDWKGRJX-UHFFFAOYSA-N
XLogP2.98
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea (CID 71909866) is 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea is CCc1nn(C)c(CC)c1CNC(=O)Nc1cc(C(C)C)on1.
What is the InChIKey of 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
The InChIKey is KCBUFIBDWKGRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-6-12-11(13(7-2)21(5)19-12)9-17-16(22)18-15-8-14(10(3)4)23-20-15/h8,10H,6-7,9H2,1-5H3,(H2,17,18,20,22).
What are the key properties of 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea?
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea has a molecular weight of 319.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 71909866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).