2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid

C14H17N3O4 — CID 116691520

IUPAC2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid
SMILESCN1CCOC(CNc2nc3ccc(C(=O)O)cc3o2)C1
InChIInChI=1S/C14H17N3O4/c1-17-4-5-20-10(8-17)7-15-14-16-11-3-2-9(13(18)19)6-12(11)21-14/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyGOEVHOLRMYFWLD-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.27
Rot. Bonds4

About 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid

2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid (PubChem CID 116691520) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid
PubChem CID116691520
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid
SMILESCN1CCOC(CNc2nc3ccc(C(=O)O)cc3o2)C1
InChIInChI=1S/C14H17N3O4/c1-17-4-5-20-10(8-17)7-15-14-16-11-3-2-9(13(18)19)6-12(11)21-14/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyGOEVHOLRMYFWLD-UHFFFAOYSA-N
XLogP1.27
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4-dioxan-2-ylmethylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690808
2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-benzoxazole-6-carboxylic acid
CID 116691561
2-(2-thiomorpholin-4-ylethylamino)-1,3-benzoxazole-6-carboxylic acid
CID 106325846
2-(2-piperazin-1-ylethylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690841
2-[2-(2-methylpyrazol-3-yl)ethylamino]-1,3-benzoxazole-6-carboxylic acid
CID 103007459
2-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 83949597
5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 79071332
3-[(4-methylmorpholin-2-yl)methyl]benzotriazole-5-carboxylic acid
CID 82783737
2-[(4-methylphenyl)methylamino]-1,3-benzoxazole-6-carboxylic acid
CID 116690577
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999
2-[[2-(ethylamino)-2-oxoethyl]amino]-1,3-benzoxazole-6-carboxylic acid
CID 116690735
2-[2-(methanesulfonamido)ethylamino]-1,3-benzoxazole-6-carboxylic acid
CID 116690722

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid (CID 116691520) is 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid is CN1CCOC(CNc2nc3ccc(C(=O)O)cc3o2)C1.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is GOEVHOLRMYFWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-17-4-5-20-10(8-17)7-15-14-16-11-3-2-9(13(18)19)6-12(11)21-14/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid?
2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 116691520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).