N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine

C16H21ClN2O2 — CID 62074068

IUPACN-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Cl)ccc1OCc1cc(C)on1
InChIInChI=1S/C16H21ClN2O2/c1-4-7-18-12(3)15-9-13(17)5-6-16(15)20-10-14-8-11(2)21-19-14/h5-6,8-9,12,18H,4,7,10H2,1-3H3
InChIKeyBILCEWCTNGZTMQ-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.28
Rot. Bonds7

About N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine

N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine (PubChem CID 62074068) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
PubChem CID62074068
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Cl)ccc1OCc1cc(C)on1
InChIInChI=1S/C16H21ClN2O2/c1-4-7-18-12(3)15-9-13(17)5-6-16(15)20-10-14-8-11(2)21-19-14/h5-6,8-9,12,18H,4,7,10H2,1-3H3
InChIKeyBILCEWCTNGZTMQ-UHFFFAOYSA-N
XLogP4.28
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 55031218
N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62074246
N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63500315
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 63500138
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 62074759
N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60888079
1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 62074239
N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 114319554
N-[1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60887882
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]-N-cyclopropylacetamide
CID 62074242
N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62393061

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine (CID 62074068) is N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine is CCCNC(C)c1cc(Cl)ccc1OCc1cc(C)on1.
What is the InChIKey of N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine?
The InChIKey is BILCEWCTNGZTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-4-7-18-12(3)15-9-13(17)5-6-16(15)20-10-14-8-11(2)21-19-14/h5-6,8-9,12,18H,4,7,10H2,1-3H3.
What are the key properties of N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine?
N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine has a molecular weight of 308.81 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 62074068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).