[7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol

C19H20ClN3O3 — CID 67377212

IUPAC[7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)cc3c(-c4cccnc4)noc3c2Cl)C[C@H](C)O1
InChIInChI=1S/C19H20ClN3O3/c1-11-8-23(9-12(2)25-11)18-14(10-24)6-15-17(13-4-3-5-21-7-13)22-26-19(15)16(18)20/h3-7,11-12,24H,8-10H2,1-2H3/t11-,12+
InChIKeyDQLIDOXYRPIPQI-TXEJJXNPSA-N
MW373.84 g/mol
LogP3.65
Rot. Bonds3

About [7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol

[7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol (PubChem CID 67377212) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is [7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol
PubChem CID67377212
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name[7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)cc3c(-c4cccnc4)noc3c2Cl)C[C@H](C)O1
InChIInChI=1S/C19H20ClN3O3/c1-11-8-23(9-12(2)25-11)18-14(10-24)6-15-17(13-4-3-5-21-7-13)22-26-19(15)16(18)20/h3-7,11-12,24H,8-10H2,1-2H3/t11-,12+
InChIKeyDQLIDOXYRPIPQI-TXEJJXNPSA-N
XLogP3.65
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol (CID 67377212) is [7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol is C[C@@H]1CN(c2c(CO)cc3c(-c4cccnc4)noc3c2Cl)C[C@H](C)O1.
What is the InChIKey of [7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol?
The InChIKey is DQLIDOXYRPIPQI-TXEJJXNPSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-11-8-23(9-12(2)25-11)18-14(10-24)6-15-17(13-4-3-5-21-7-13)22-26-19(15)16(18)20/h3-7,11-12,24H,8-10H2,1-2H3/t11-,12+.
What are the key properties of [7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol?
[7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol has a molecular weight of 373.84 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 67377212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).