1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate

C37H40N6O6 — CID 20729508

IUPAC1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate
SMILESCOc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(C(C)(C)C)cc1NC(=O)OCc1cnco1
InChIInChI=1S/C37H40N6O6/c1-37(2,3)25-17-32(34(46-4)33(18-25)42-36(45)48-22-27-20-38-23-49-27)41-35(44)40-31-12-11-28(29-7-5-6-8-30(29)31)24-9-10-26(39-19-24)21-43-13-15-47-16-14-43/h5-12,17-20,23H,13-16,21-22H2,1-4H3,(H,42,45)(H2,40,41,44)
InChIKeyJFKDQXCPHPVBAO-UHFFFAOYSA-N
MW664.76 g/mol
LogP7.42
Rot. Bonds9

About 1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate

1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate (PubChem CID 20729508) has the molecular formula C37H40N6O6 and a molecular weight of 664.76 g/mol. Its IUPAC name is 1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Name1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate
PubChem CID20729508
Molecular FormulaC37H40N6O6
Molecular Weight664.76 g/mol
Exact Mass664.30
IUPAC Name1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate
SMILESCOc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(C(C)(C)C)cc1NC(=O)OCc1cnco1
InChIInChI=1S/C37H40N6O6/c1-37(2,3)25-17-32(34(46-4)33(18-25)42-36(45)48-22-27-20-38-23-49-27)41-35(44)40-31-12-11-28(29-7-5-6-8-30(29)31)24-9-10-26(39-19-24)21-43-13-15-47-16-14-43/h5-12,17-20,23H,13-16,21-22H2,1-4H3,(H,42,45)(H2,40,41,44)
InChIKeyJFKDQXCPHPVBAO-UHFFFAOYSA-N
XLogP7.42
TPSA140.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.76
LogP ≤ 57.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate?
The IUPAC name of 1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate (CID 20729508) is 1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate.
What is the SMILES notation for 1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate?
The canonical SMILES for 1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate is COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(C(C)(C)C)cc1NC(=O)OCc1cnco1.
What is the InChIKey of 1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate?
The InChIKey is JFKDQXCPHPVBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N6O6/c1-37(2,3)25-17-32(34(46-4)33(18-25)42-36(45)48-22-27-20-38-23-49-27)41-35(44)40-31-12-11-28(29-7-5-6-8-30(29)31)24-9-10-26(39-19-24)21-43-13-15-47-16-14-43/h5-12,17-20,23H,13-16,21-22H2,1-4H3,(H,42,45)(H2,40,41,44).
What are the key properties of 1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate?
1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate has a molecular weight of 664.76 g/mol, XLogP of 7.42, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate is sourced from PubChem (CID 20729508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).