2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide

C16H21N3O3 — CID 126788335

IUPAC2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide
SMILESCCC1(C)CN(C(=O)Nc2ccc3oc(C)nc3c2)CCO1
InChIInChI=1S/C16H21N3O3/c1-4-16(3)10-19(7-8-21-16)15(20)18-12-5-6-14-13(9-12)17-11(2)22-14/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeyFUMBJADUPAIULR-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.17
Rot. Bonds2

About 2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide

2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide (PubChem CID 126788335) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide
PubChem CID126788335
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide
SMILESCCC1(C)CN(C(=O)Nc2ccc3oc(C)nc3c2)CCO1
InChIInChI=1S/C16H21N3O3/c1-4-16(3)10-19(7-8-21-16)15(20)18-12-5-6-14-13(9-12)17-11(2)22-14/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeyFUMBJADUPAIULR-UHFFFAOYSA-N
XLogP3.17
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide
CID 99829307
(2R)-2-ethyl-2-methyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]morpholine-4-carboxamide
CID 99829913
(3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-phenylpyrrolidine-1-carboxamide
CID 124593890
N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71992151
N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 893544
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 71915800
2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide
CID 126781000
1-[[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079827
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 41042415
2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide
CID 83072450
(2S)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99825783

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide?
The IUPAC name of 2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide (CID 126788335) is 2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide?
The canonical SMILES for 2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide is CCC1(C)CN(C(=O)Nc2ccc3oc(C)nc3c2)CCO1.
What is the InChIKey of 2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide?
The InChIKey is FUMBJADUPAIULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-16(3)10-19(7-8-21-16)15(20)18-12-5-6-14-13(9-12)17-11(2)22-14/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,20).
What are the key properties of 2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide?
2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide is sourced from PubChem (CID 126788335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).