1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane

C17H25ClN2O — CID 166557075

IUPAC1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane
SMILESC1CCCC1.CNCc1cc(Cl)c2oc(C(C)C)nc2c1
InChIInChI=1S/C12H15ClN2O.C5H10/c1-7(2)12-15-10-5-8(6-14-3)4-9(13)11(10)16-12;1-2-4-5-3-1/h4-5,7,14H,6H2,1-3H3;1-5H2
InChIKeyLRBSPNHMOVRQLC-UHFFFAOYSA-N
MW308.85 g/mol
LogP5.27
Rot. Bonds3

About 1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane

1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane (PubChem CID 166557075) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane.

Molecular Properties

Compound Name1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane
PubChem CID166557075
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane
SMILESC1CCCC1.CNCc1cc(Cl)c2oc(C(C)C)nc2c1
InChIInChI=1S/C12H15ClN2O.C5H10/c1-7(2)12-15-10-5-8(6-14-3)4-9(13)11(10)16-12;1-2-4-5-3-1/h4-5,7,14H,6H2,1-3H3;1-5H2
InChIKeyLRBSPNHMOVRQLC-UHFFFAOYSA-N
XLogP5.27
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.85
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

5-(methylaminomethyl)-2-propan-2-yl-1,3-benzoxazole-7-carbonitrile
CID 166557740
N-[(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-N-methylcyclopentanamine
CID 166557594
cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166557590
7-fluoro-5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-benzoxazole
CID 166557061
cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 167273871
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557585
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166557173
trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166556290
7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole
CID 82095523
(7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine
CID 166557495
1-methoxy-2-methyl-N-[(7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]propan-2-amine
CID 166557077
oxolane;[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methanamine
CID 166557567

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane?
The IUPAC name of 1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane (CID 166557075) is 1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane.
What is the SMILES notation for 1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane?
The canonical SMILES for 1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane is C1CCCC1.CNCc1cc(Cl)c2oc(C(C)C)nc2c1.
What is the InChIKey of 1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane?
The InChIKey is LRBSPNHMOVRQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O.C5H10/c1-7(2)12-15-10-5-8(6-14-3)4-9(13)11(10)16-12;1-2-4-5-3-1/h4-5,7,14H,6H2,1-3H3;1-5H2.
What are the key properties of 1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane?
1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane has a molecular weight of 308.85 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)-N-methylmethanamine;cyclopentane is sourced from PubChem (CID 166557075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).