[4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol

C11H12ClN3O2 — CID 110929576

IUPAC[4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol
SMILESCc1noc(CNc2cc(CO)ccc2Cl)n1
InChIInChI=1S/C11H12ClN3O2/c1-7-14-11(17-15-7)5-13-10-4-8(6-16)2-3-9(10)12/h2-4,13,16H,5-6H2,1H3
InChIKeyYHBWTVAWWLUJNB-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.14
Rot. Bonds4

About [4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol

[4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol (PubChem CID 110929576) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is [4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol
PubChem CID110929576
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name[4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol
SMILESCc1noc(CNc2cc(CO)ccc2Cl)n1
InChIInChI=1S/C11H12ClN3O2/c1-7-14-11(17-15-7)5-13-10-4-8(6-16)2-3-9(10)12/h2-4,13,16H,5-6H2,1H3
InChIKeyYHBWTVAWWLUJNB-UHFFFAOYSA-N
XLogP2.14
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol
CID 115969675
[4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol
CID 111777982
[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenyl]methanol
CID 106416528
[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol
CID 115877219
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
[4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol
CID 71985215
3-bromo-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoic acid
CID 82800768
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzene-1,2-diol
CID 54903566
2-ethoxy-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 87029742
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylsulfonylaniline
CID 43074571
2-chloro-5-cyano-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 80704491
3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 62178076

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol?
The IUPAC name of [4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol (CID 110929576) is [4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol?
The canonical SMILES for [4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol is Cc1noc(CNc2cc(CO)ccc2Cl)n1.
What is the InChIKey of [4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol?
The InChIKey is YHBWTVAWWLUJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-7-14-11(17-15-7)5-13-10-4-8(6-16)2-3-9(10)12/h2-4,13,16H,5-6H2,1H3.
What are the key properties of [4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol?
[4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol has a molecular weight of 253.69 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 110929576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).