4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

C18H23FN4O2 — CID 75527446

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCc1noc(C)c1CN1CCN(C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C18H23FN4O2/c1-13-17(14(2)25-21-13)12-22-6-8-23(9-7-22)18(24)20-11-15-4-3-5-16(19)10-15/h3-5,10H,6-9,11-12H2,1-2H3,(H,20,24)
InChIKeyDPPSKMAVDQEEOE-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.46
Rot. Bonds4

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 75527446) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID75527446
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCc1noc(C)c1CN1CCN(C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C18H23FN4O2/c1-13-17(14(2)25-21-13)12-22-6-8-23(9-7-22)18(24)20-11-15-4-3-5-16(19)10-15/h3-5,10H,6-9,11-12H2,1-2H3,(H,20,24)
InChIKeyDPPSKMAVDQEEOE-UHFFFAOYSA-N
XLogP2.46
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 91905862
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 75527445
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 47022600
2-[4-[(3-fluorophenyl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 61196137
4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 52581037
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide
CID 86879890
[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19444595
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 35252936
4-[[(3aR,7aR)-2-[(3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124834944
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
(Z)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 94135470

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide (CID 75527446) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide is Cc1noc(C)c1CN1CCN(C(=O)NCc2cccc(F)c2)CC1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is DPPSKMAVDQEEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13-17(14(2)25-21-13)12-22-6-8-23(9-7-22)18(24)20-11-15-4-3-5-16(19)10-15/h3-5,10H,6-9,11-12H2,1-2H3,(H,20,24).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 75527446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).