4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine

C14H17ClN4O — CID 117472714

IUPAC4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
SMILESCN1CCN(c2ccc(-c3cnoc3N)cc2Cl)CC1
InChIInChI=1S/C14H17ClN4O/c1-18-4-6-19(7-5-18)13-3-2-10(8-12(13)15)11-9-17-20-14(11)16/h2-3,8-9H,4-7,16H2,1H3
InChIKeyBUPFUXNAXUBRCN-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.33
Rot. Bonds2

About 4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine

4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117472714) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
PubChem CID117472714
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
SMILESCN1CCN(c2ccc(-c3cnoc3N)cc2Cl)CC1
InChIInChI=1S/C14H17ClN4O/c1-18-4-6-19(7-5-18)13-3-2-10(8-12(13)15)11-9-17-20-14(11)16/h2-3,8-9H,4-7,16H2,1H3
InChIKeyBUPFUXNAXUBRCN-UHFFFAOYSA-N
XLogP2.33
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117414139
4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117399587
4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine
CID 117396976
4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine
CID 117488480
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117308055
7-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine
CID 68750789
4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine
CID 117336621
4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine
CID 117416149
4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117416150
4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine
CID 170641339
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine (CID 117472714) is 4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine is CN1CCN(c2ccc(-c3cnoc3N)cc2Cl)CC1.
What is the InChIKey of 4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is BUPFUXNAXUBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-18-4-6-19(7-5-18)13-3-2-10(8-12(13)15)11-9-17-20-14(11)16/h2-3,8-9H,4-7,16H2,1H3.
What are the key properties of 4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine?
4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 292.77 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117472714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).