N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide

C18H21N5O3 — CID 135097073

IUPACN-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
SMILESCc1ncc(CN(CCO)C(=O)c2c3c(nc4onc(C)c24)CCC3)[nH]1
InChIInChI=1S/C18H21N5O3/c1-10-15-16(13-4-3-5-14(13)21-17(15)26-22-10)18(25)23(6-7-24)9-12-8-19-11(2)20-12/h8,24H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyKWXZPPXKELKBSI-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.69
Rot. Bonds5

About N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide

N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide (PubChem CID 135097073) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
PubChem CID135097073
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
SMILESCc1ncc(CN(CCO)C(=O)c2c3c(nc4onc(C)c24)CCC3)[nH]1
InChIInChI=1S/C18H21N5O3/c1-10-15-16(13-4-3-5-14(13)21-17(15)26-22-10)18(25)23(6-7-24)9-12-8-19-11(2)20-12/h8,24H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyKWXZPPXKELKBSI-UHFFFAOYSA-N
XLogP1.69
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide (CID 135097073) is N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide is Cc1ncc(CN(CCO)C(=O)c2c3c(nc4onc(C)c24)CCC3)[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The InChIKey is KWXZPPXKELKBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-10-15-16(13-4-3-5-14(13)21-17(15)26-22-10)18(25)23(6-7-24)9-12-8-19-11(2)20-12/h8,24H,3-7,9H2,1-2H3,(H,19,20).
What are the key properties of N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide is sourced from PubChem (CID 135097073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).