N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide

C16H19ClN4O2 — CID 122569549

IUPACN-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2cc(-c3ccccc3Cl)on2)CC1
InChIInChI=1S/C16H19ClN4O2/c1-20-6-8-21(9-7-20)16(22)18-11-12-10-15(23-19-12)13-4-2-3-5-14(13)17/h2-5,10H,6-9,11H2,1H3,(H,18,22)
InChIKeyLPIPXABECBMWSY-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.45
Rot. Bonds3

About N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide

N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide (PubChem CID 122569549) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide
PubChem CID122569549
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2cc(-c3ccccc3Cl)on2)CC1
InChIInChI=1S/C16H19ClN4O2/c1-20-6-8-21(9-7-20)16(22)18-11-12-10-15(23-19-12)13-4-2-3-5-14(13)17/h2-5,10H,6-9,11H2,1H3,(H,18,22)
InChIKeyLPIPXABECBMWSY-UHFFFAOYSA-N
XLogP2.45
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-methylazepane-2-carboxamide
CID 97187936
(3R,6S)-N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6-(dimethylamino)-1-methylazepane-3-carboxamide
CID 165425044
1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122000164
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 56750539
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methanethiol
CID 165473131
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 122562809
2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylpiperazin-1-yl)propanenitrile
CID 73441741
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978
5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 1093869
1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
CID 178176313
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-chlorobenzoyl)-1,4-diazepane-1-carboxamide
CID 86880037
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide (CID 122569549) is N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NCc2cc(-c3ccccc3Cl)on2)CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is LPIPXABECBMWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-20-6-8-21(9-7-20)16(22)18-11-12-10-15(23-19-12)13-4-2-3-5-14(13)17/h2-5,10H,6-9,11H2,1H3,(H,18,22).
What are the key properties of N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide?
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 122569549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).